0 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(=O)NNC(C)=O SBB067157 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 N=C(N)NCC(=O)O SBB028198 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 NC(=O)NNC(N)=O SBB111699 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 NC(=O)\C=C/C(=O)O SBB007773 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.6 NC(=O)\C=C\C(N)=O SBB000043 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.6 NC(=S)NCC(=O)O SBB057116 [0,0,0,0,0,0|2,1,1]=4 10 B7R0.6 O=C(Cl)CCC(=O)Cl SBB061367 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 O=C(O)C#CC(=O)O SBB059645 [0,0,0,0,0,0|0,0,2]=2 12 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,0,0,0,0,0|0,0,2]=2 13 B7R0.6 O=C(O)\C=C/C(=O)O SBB040567 [0,0,0,0,0,0|0,0,0]=0 14 B7R0.6 O=C(O)\C=C\C(=O)O SBB008547 [0,0,0,0,0,0|0,0,0]=0 15 B7R0.6 O=C([O-])C#CC(=O)O SBB008993 [0,0,0,0,0,0|0,0,3]=3 16 B6R0.4 C=CCCC(=O)O SBB061214 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.9 COC(=O)\C=C\C(=O)O SBB065854 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.9 OC(=O)\C=C/C(=O)NC SBB005847 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.23 C=C(NC(C)=O)C(=O)O SBB072716 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,1,0,0,0,0|1,0,2]=4 29 B8R0.23 CC(=O)NC(C)C(=O)O SBB000064 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 CC(CC(=O)O)C(=O)O SBB061436 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.23 C\C(=C\C(=O)O)C(=O)O SBB065853 [0,1,0,0,0,0|0,0,0]=1 32 B8R0.23 NC(=O)CC(N)C(=O)O SBB058664 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SBB058629 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.23 NC(CC(=O)O)C(=O)O SBB015070 [0,1,0,0,0,0|0,0,2]=3 35 B8R0.23 O=C(O)CC(=O)C(=O)O SBB065751 [0,1,0,0,0,0|0,0,1]=2 36 B8R0.23 O=C(O)CC(Cl)C(=O)O SBB065943 [0,1,0,0,0,0|0,0,2]=3 37 B8R0.23 O=C(O)CC(S)C(=O)O SBB058850 [0,1,0,0,0,0|0,0,2]=3 38 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SBB063599 [0,1,0,0,0,0|0,0,2]=3 39 B8R0.23 O=C(O)C[C@H](O)C(=O)O SBB058687 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.29 O=C(O)\C=C\C(F)(F)F SBB086114 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.3 CC1=CC=C(O)N=N1 SBB051111 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.3 CC1=CN=C(O)C=C1 SBB055600 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.3 CC1=CNC(=O)C=C1 SBB040121 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.3 NC1=CC=C(O)C=C1 SBB059792 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.3 NC1=CC=C(O)N=C1 SBB028187 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.3 O=C1C=CC(=O)C=C1 SBB058657 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.3 O=C1C=CC(Br)=CN1 SBB003806 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.3 O=C1C=CC(Cl)=CN1 SBB004227 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.3 OC1=CC=C(Br)C=C1 SBB040917 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.3 OC1=CC=C(Cl)C=C1 SBB040864 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.3 OC1=CC=C(F)C=C1 SBB040810 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.3 OC1=CC=C(O)C=C1 SBB060421 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.3 OC1=CN=C(Cl)C=C1 SBB054276 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.3 OC1=NC=C(Br)C=C1 SBB054347 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.3 OC1=NC=C(Cl)C=C1 SBB054352 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.3 OC1=NC=C(I)C=C1 SBB054372 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.3 OC1=NN=C(O)C=C1 SBB004322 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,0,0,1,0,0|1,0,2]=4 61 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,0,0,1,0|3,0,0]=4 62 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,0,0,1,0|2,0,1]=4 63 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,0,0,0,1,0|2,0,1]=4 64 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,0,0,1,0|3,0,0]=4 65 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,0,0,0,1,0|2,0,1]=4 66 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,0,0,0,1,0|2,0,0]=3 67 B6R0.2 CC(O)CC(=O)O SBB065815 [0,0,0,0,1,0|1,0,2]=4 68 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,0,0,0,1,0|1,0,1]=3 69 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,0,0,0,1,0|2,0,1]=4 70 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,0,0,0,1,0|2,0,1]=4 71 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,0,0,0,1,0|0,0,1]=2 72 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,0,0,0,0,1|1,0,2]=4 73 B8R0.28 CC(=O)\C=C\C=C(C)C SBB008066 [0,0,0,0,0,1|3,0,0]=4 74 B8R0.28 NC(=O)COCC(=O)O SBB046438 [0,0,0,0,0,1|1,0,2]=4 75 B8R0.28 O=C(O)CCCC(=O)O SBB060277 [0,0,0,0,0,1|0,0,2]=3 76 B8R0.28 O=C(O)CNCC(=O)O SBB028457 [0,0,0,0,0,1|0,0,2]=3 77 B8R0.28 O=C(O)COCC(=O)O SBB058774 [0,0,0,0,0,1|0,0,2]=3 78 B8R0.28 O=C(O)CSCC(=O)O SBB056921 [0,0,0,0,0,1|0,0,2]=3 79 B8R0.28 O=C([O-])COCC(=O)O SBB060676 [0,0,0,0,0,1|0,0,3]=4 80 B7R0.3 COC(=O)\C=C\CBr SBB070730 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.5 CC(NC=O)C(=O)O SBB047145 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl SBB089088 [0,1,0,0,1,0|2,0,0]=4 87 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,1,0,0,0,1|0,0,2]=4 88 B9R0.7 NC(CCC(=O)O)C(=O)O SBB067835 [0,1,0,0,0,1|0,0,2]=4 89 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB006707 [0,1,0,0,0,1|0,0,2]=4 90 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB008782 [0,1,0,0,0,1|0,0,2]=4 91 B9R0.7 O=C(O)CCC(=O)C(=O)O SBB056419 [0,1,0,0,0,1|0,0,1]=3 92 B9R0.53 CC(CC(=O)O)CC(=O)O SBB069122 [0,1,0,0,0,1|0,0,2]=4 93 B9R0.53 CN(CC(=O)O)CC(=O)O SBB053605 [0,1,0,0,0,1|0,0,2]=4 94 B9R0.53 O=C(O)CC(=O)CC(=O)O SBB065807 [0,1,0,0,0,1|0,0,1]=3 95 B9R0.53 O=C(O)CS(=O)CC(=O)O SBB300904 [0,1,0,0,0,1|0,0,2]=4 96 B9R0.23 COC(=O)C(=O)CC(C)=O SBB004133 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.24 COC(=O)C#CC(=O)OC SBB065774 [0,2,0,0,0,0|0,0,2]=4 98 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [0,2,0,0,0,0|0,0,2]=4 99 B9R0.24 COC(=O)\C=C\C(=O)OC SBB008222 [0,2,0,0,0,0|0,0,0]=2 100 B9R0.42 COC(=O)C[C@H](N)C(=O)O SBB065788 [0,2,0,0,0,0|0,0,2]=4 101 B9R0.48 CCNC(=O)\C=C/C(=O)O SBB028463 [0,2,0,0,0,0|1,0,0]=3 102 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [0,2,0,0,0,0|0,0,0]=2 103 B9R0.11 CC(C)(CC(=O)O)C(=O)O SBB061664 [0,2,0,0,0,0|0,0,2]=4 104 B9R0.11 O=C(O)CC(F)(F)C(=O)O SBB086955 [0,2,0,0,0,0|0,0,2]=4 105 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O SBB067433 [0,2,0,0,0,0|0,0,2]=4 106 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O SBB067067 [0,2,0,0,0,0|0,0,2]=4 107 B9R0.79 O=C(O)C(O)C(O)C(=O)O SBB060885 [0,2,0,0,0,0|0,0,2]=4 108 B9R0.79 O=C(O)C(O)C(O)C(=O)O SBB067123 [0,2,0,0,0,0|0,0,2]=4 109 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SBB065766 [0,2,0,0,0,0|0,0,2]=4 110 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O SBB065802 [0,2,0,0,0,0|0,0,2]=4 111 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [1,0,0,1,0,0|0,0,0]=2 112 B7R1.2 O=C1CCC(=O)O1 SBB040819 [1,0,0,1,0,0|0,0,2]=4 113 B7R1.3 O=C1C=CC=NN1 SBB005360 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.3 OC1=CC=CC=N1 SBB004392 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.3 OC1=CN=CC=C1 SBB004391 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,0,0,1,0,1|2,0,0]=4 117 B9R1.35 CC(=O)C1=CN=C(N)O1 SBB072544 [0,0,0,1,0,1|2,0,0]=4 118 B9R1.35 CC1=CC(C(=O)O)=CS1 SBB009287 [0,0,0,1,0,1|2,0,0]=4 119 B9R1.35 CC1=CC=C(C(=O)Cl)O1 SBB017922 [0,0,0,1,0,1|2,0,0]=4 120 B9R1.35 CC1=CC=C(C(=O)O)O1 SBB005609 [0,0,0,1,0,1|1,0,0]=3 121 B9R1.35 CC1=CN=C(C(=O)O)S1 SBB053120 [0,0,0,1,0,1|1,1,0]=4 122 B9R1.35 CC1=CSC(C(=O)O)=C1 SBB017915 [0,0,0,1,0,1|2,0,0]=4 123 B9R1.35 CC1=CSC(C(=O)O)=N1 SBB053102 [0,0,0,1,0,1|2,0,0]=4 124 B9R1.35 CC1=NC(C(=O)O)=CO1 SBB019457 [0,0,0,1,0,1|2,0,0]=4 125 B9R1.35 CC1=NC(C(=O)O)=CS1 SBB053121 [0,0,0,1,0,1|2,0,0]=4 126 B9R1.35 CC1=NC=C(C(=O)O)S1 SBB053124 [0,0,0,1,0,1|1,1,0]=4 127 B9R1.35 NC(=O)C1=CC=C(Br)O1 SBB050272 [0,0,0,1,0,1|2,0,0]=4 128 B9R1.35 NC1=NC(C(=O)O)=CO1 SBB053190 [0,0,0,1,0,1|2,0,0]=4 129 B9R1.35 NC1=NC(C(=O)O)=CS1 SBB010300 [0,0,0,1,0,1|2,0,0]=4 130 B9R1.35 NC1=NC=C(C(=O)O)S1 SBB066572 [0,0,0,1,0,1|1,1,0]=4 131 B9R1.35 O=C(O)C1=CC(Br)=CS1 SBB020811 [0,0,0,1,0,1|2,0,0]=4 132 B9R1.35 O=C(O)C1=CC(O)=NO1 SBB027231 [0,0,0,1,0,1|2,0,0]=4 133 B9R1.35 O=C(O)C1=CC=C(Br)O1 SBB003644 [0,0,0,1,0,1|1,0,0]=3 134 B9R1.35 O=C(O)C1=CC=C(Br)S1 SBB053058 [0,0,0,1,0,1|1,1,0]=4 135 B9R1.35 O=C(O)C1=CC=C(F)S1 SBB023956 [0,0,0,1,0,1|1,1,0]=4 136 B9R1.35 O=C(O)C1=CC=C(I)O1 SBB039298 [0,0,0,1,0,1|1,0,0]=3 137 B9R1.35 O=C(O)C1=CN=C(Br)S1 SBB053123 [0,0,0,1,0,1|1,1,0]=4 138 B9R1.35 O=C(O)C1=CN=C(Cl)S1 SBB053137 [0,0,0,1,0,1|1,1,0]=4 139 B9R1.35 O=C(O)C1=CNC(O)=N1 SBB017908 [0,0,0,1,0,1|1,0,0]=3 140 B9R1.35 O=C(O)C1=CSC(Br)=N1 SBB053103 [0,0,0,1,0,1|2,0,0]=4 141 B9R1.35 O=C(O)C1=NNC(O)=N1 SBB013694 [0,0,0,1,0,1|2,0,0]=4 142 B9R1.35 O=C1C=C(C(=O)O)NN1 SBB014633 [0,0,0,1,0,1|2,0,0]=4 143 B9R1.35 O=C1CC(C(=O)O)=NN1 SBB053199 [0,0,0,1,0,1|2,0,0]=4 144 B9R1.35 O=C1N=C(C(=O)O)NN1 SBB015008 [0,0,0,1,0,1|2,0,0]=4 145 B9R1.35 O=C1NN=C(C(=O)O)N1 SBB046722 [0,0,0,1,0,1|2,0,0]=4 146 B9R1.35 OC(=O)C1=CC=C(C)S1 SBB004146 [0,0,0,1,0,1|1,1,0]=4 147 B9R1.35 OC(=O)C1=CC=C(Cl)S1 SBB003937 [0,0,0,1,0,1|1,1,0]=4 148 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.1 O=CC1=CC=C(O)C=C1 SBB028743 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.1 O=CC1=CC=C(O)N=C1 SBB052249 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.69 CC1=C(O)C=CC(O)=C1 SBB058737 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.69 CC1=CC(=O)NNC1=O SBB079260 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.69 N1C(=O)C=CC(=O)N1C SBB004253 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.69 OC1=CC=C(Br)C(O)=C1 SBB059604 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.69 OC1=CC=C(Cl)C(O)=C1 SBB061264 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.69 OC1=CC=C(F)C(O)=C1 SBB085710 [0,1,0,1,0,0|2,0,0]=4 158 B5R0.5 CC(O)C(=O)O SBB065762 [0,0,0,0,2,0|1,0,1]=4 159 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [0,0,0,0,0,2|0,0,2]=4 160 B9R0.55 O=C(O)\C=C\C=C\C(=O)O SBB056770 [0,0,0,0,0,2|0,0,0]=2