0 B9R1.35 CC1=NOC(C(=O)O)C1 SBB050121 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 SBB053161 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SBB004222 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SBB053386 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 O=C1C=C(C(=O)O)NN1 SBB014633 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 O=C1CC(C(=O)O)=NN1 SBB053199 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SBB004232 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.35 O=C1N=C(C(=O)O)NN1 SBB015008 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 O=C1NN=C(C(=O)O)N1 SBB046722 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 O=C1N[C@H](C(=O)O)CS1 SBB004097 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [1,0,0,0,0,0|0,0,1]=2 13 B8R1.7 NC(=O)C1CCCN1 SBB004067 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.7 O=C(O)C1=CC=CN1 SBB004332 [1,0,0,0,0,0|0,0,3]=4 16 B8R1.7 O=C(O)C1=CN=CN1 SBB004323 [1,0,0,0,0,0|1,0,2]=4 17 B8R1.7 O=C(O)C1=NC=CN1 SBB010014 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.7 O=C(O)C1C=CCN1 SBB053088 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.7 O=C(O)C1CCCC1 SBB065782 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.7 O=C(O)C1CCCO1 SBB004298 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.7 O=C(O)C1CCNC1 SBB053378 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.7 O=C(O)C1CCNC1 SBB069272 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.7 O=C(O)C1CCOC1 SBB053083 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [1,0,0,0,0,0|0,0,1]=2 27 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 OC(=O)C1SCCN1 SBB027340 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.14 COC(=O)C1=NNC(=O)N1 SBB051636 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.14 COC(=O)C1CNC(=O)C1 SBB086281 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SBB062937 [0,1,0,0,0,0|0,0,0]=1 32 B10R1.14 N1C(=O)CCN1C(=O)CCl SBB003939 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.31 OC(=O)[C@H]1CSC(CC)N1 SBB017044 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.58 CN1CC(C(=O)O)CC1=O SBB013855 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.58 CN1CC(C(N)=O)CC1=O SBB008084 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 SBB010446 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,0,1,0,0,0|1,0,1]=3 41 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,0,1,0,0,0|1,0,1]=3 42 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,0,1,0,0,0|2,0,0]=3 44 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,0,1,0,0,0|1,0,1]=3 45 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,0,1,0,0,0|1,0,0]=2 46 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,0,1,0,0,0|2,0,0]=3 47 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,0,1,0,0,0|2,0,0]=3 48 B8R0.9 COC(=O)\C=C\C(=O)O SBB065854 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,0,1,0,0,0|2,0,0]=3 50 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,0,1,0,0,0|2,0,0]=3 51 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,0,1,0,0,0|1,0,0]=2 52 B8R0.9 OC(=O)\C=C/C(=O)NC SBB005847 [0,0,1,0,0,0|2,0,1]=4 53 B8R0.23 C=C(NC(C)=O)C(=O)O SBB072716 [0,0,1,0,0,0|0,0,2]=3 54 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,0,1,0,0,0|1,0,0]=2 55 B8R0.23 CC(=O)NC(C)C(=O)O SBB000064 [0,0,1,0,0,0|0,0,0]=1 56 B8R0.23 CC(CC(=O)O)C(=O)O SBB061436 [0,0,1,0,0,0|2,0,0]=3 57 B8R0.23 C\C(=C\C(=O)O)C(=O)O SBB065853 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.23 NC(=O)CC(N)C(=O)O SBB058664 [0,0,1,0,0,0|3,0,0]=4 59 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SBB058629 [0,0,1,0,0,0|3,0,0]=4 60 B8R0.23 NC(CC(=O)O)C(=O)O SBB015070 [0,0,1,0,0,0|3,0,0]=4 61 B8R0.23 O=C(O)CC(Cl)C(=O)O SBB065943 [0,0,1,0,0,0|3,0,0]=4 62 B8R0.23 O=C(O)CC(S)C(=O)O SBB058850 [0,0,1,0,0,0|3,0,0]=4 63 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SBB063599 [0,0,1,0,0,0|3,0,0]=4 64 B8R0.23 O=C(O)C[C@H](O)C(=O)O SBB058687 [0,0,1,0,0,0|3,0,0]=4 65 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,0,1,0,0,0|2,0,0]=3 66 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.28 N=C(N)SCCC(=O)O SBB065969 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.28 NC(=O)COCC(=O)O SBB046438 [0,0,1,0,0,0|1,0,0]=2 69 B8R0.28 NC(=O)CSCC(N)=O SBB058334 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.28 O=C(O)CCCC(=O)O SBB060277 [0,0,1,0,0,0|1,0,0]=2 71 B8R0.28 O=C(O)CNCC(=O)O SBB028457 [0,0,1,0,0,0|2,0,0]=3 72 B8R0.28 O=C(O)COCC(=O)O SBB058774 [0,0,1,0,0,0|2,0,0]=3 73 B8R0.28 O=C(O)CSCC(=O)O SBB056921 [0,0,1,0,0,0|2,0,0]=3 74 B8R0.28 O=C([O-])COCC(=O)O SBB060676 [0,0,1,0,0,0|2,0,0]=3 75 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,0,1,0,0,0|3,0,0]=4 77 B8R1.23 C=C1CC(C(=O)O)C1 SBB053430 [0,0,0,0,1,0|2,0,0]=3 78 B8R1.23 O=C1CC(C(=O)O)C1 SBB053464 [0,0,0,0,1,0|1,0,0]=2 79 B10R1.13 CC(=O)N1CCC(=O)CC1 SBB040812 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.13 CC1CCC(C(=O)O)CC1 SBB065950 [0,0,0,0,0,1|2,0,1]=4 81 B10R1.13 CN1CCC(C(=O)O)CC1 SBB025225 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SBB028269 [0,0,0,0,0,1|2,0,1]=4 83 B10R1.13 O=C(O)C1CCC(O)CC1 SBB007787 [0,0,0,0,0,1|1,0,2]=4 84 B10R1.13 O=C1C=CC(C(=O)O)=NN1 SBB007399 [0,0,0,0,0,1|0,0,3]=4 85 B10R1.13 O=C1C=CC(C(=O)O)=NN1 SBB053229 [0,0,0,0,0,1|0,0,3]=4 86 B10R1.13 O=C1CCC(C(=O)O)=NN1 SBB016624 [0,0,0,0,0,1|0,0,1]=2 87 B10R1.13 O=C1CCC(C(=O)O)CC1 SBB053428 [0,0,0,0,0,1|1,0,0]=2 88 B10R1.54 O=C(O)CC1=NC(=O)CS1 SBB053148 [0,0,0,0,0,1|1,0,2]=4 89 B10R1.113 CC1CCCC(C(=O)O)N1 SBB080591 [0,0,0,0,0,1|1,0,1]=3 90 B10R1.113 CN1CCCC(C(=O)O)C1 SBB003754 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.113 CN1CCCC(C(=O)O)C1 SBB085537 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.113 O=C1CSCC(C(=O)O)N1 SBB072125 [0,0,0,0,0,1|0,0,0]=1 93 B10R1.113 O=C1N=CC=C(C(=O)O)N1 SBB067353 [0,0,0,0,0,1|0,0,3]=4 94 B7R0.3 C=CCNC(=O)CCl SBB085845 [1,0,1,0,0,0|2,0,0]=4 95 B7R0.4 C#CCCCC(=O)O SBB009090 [1,0,1,0,0,0|1,0,1]=4 96 B7R0.4 CCCCCC(=O)O SBB053586 [1,0,1,0,0,0|1,0,1]=4 97 B7R0.4 CCCCCC(N)=O SBB061056 [1,0,1,0,0,0|1,0,1]=4 98 B7R0.4 CCOCCC(=O)O SBB053607 [1,0,1,0,0,0|2,0,0]=4 99 B7R0.4 NCCCCC(=O)O SBB061559 [1,0,1,0,0,0|0,0,1]=3 100 B7R0.4 O=C(O)CCCCBr SBB061343 [1,0,1,0,0,0|1,0,1]=4 101 B7R0.4 O=C(O)CCCCCl SBB061215 [1,0,1,0,0,0|1,0,1]=4 102 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,0,1,0,0,0|1,0,0]=3 103 B7R0.5 CC(NC=O)C(=O)O SBB047145 [1,0,1,0,0,0|0,0,0]=2 104 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,0,1,0,0,0|1,0,1]=4 105 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,0,1,0,0,0|0,0,1]=3 107 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [1,0,1,0,0,0|1,0,1]=4 108 B7R0.5 NC(CCO)C(=O)O SBB065734 [1,0,1,0,0,0|0,0,1]=3 109 B7R0.5 NC(CCS)C(=O)O SBB065757 [1,0,1,0,0,0|0,1,0]=3 110 B7R0.5 NCCC(N)C(=O)O SBB053580 [1,0,1,0,0,0|1,0,0]=3 111 B7R0.5 NCCC(N)C(=O)O SBB066000 [1,0,1,0,0,0|1,0,0]=3 112 B7R0.5 NCCC(O)C(=O)O SBB066010 [1,0,1,0,0,0|2,0,0]=4 113 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [1,0,1,0,0,0|1,0,0]=3 114 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [1,0,1,0,0,0|0,0,1]=3 115 B7R0.6 CC(=O)CCC(=O)O SBB040561 [1,0,1,0,0,0|1,0,0]=3 116 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,0,1,0,0,0|2,0,0]=4 117 B7R0.6 CC(=O)NCC(=O)O SBB036034 [1,0,1,0,0,0|0,0,0]=2 118 B7R0.6 CC(=O)NNC(C)=O SBB067157 [1,0,1,0,0,0|2,0,0]=4 119 B7R0.6 N=C(N)NCC(=O)O SBB028198 [1,0,1,0,0,0|2,0,0]=4 120 B7R0.6 NC(=S)NCC(=O)O SBB057116 [1,0,1,0,0,0|1,1,0]=4 121 B7R0.6 O=C(O)CCC(=O)O SBB040562 [1,0,1,0,0,0|2,0,0]=4 122 B7R0.15 CCC(CC)C(=O)O SBB061341 [1,0,1,0,0,0|1,0,1]=4 123 B7R0.15 CNC(CS)C(=O)O SBB053575 [1,0,1,0,0,0|1,0,1]=4 124 B7R1.1 O=CC1CCCC1 SBB069481 [2,0,0,0,0,0|1,0,1]=4 125 B7R1.1 O=CC1CCOC1 SBB052278 [2,0,0,0,0,0|2,0,0]=4 126 B7R1.1 OC[C@H]1CCCN1 SBB027252 [2,0,0,0,0,0|0,0,2]=4 127 B7R1.2 O=C1CCC(=O)N1 SBB040866 [2,0,0,0,0,0|0,0,1]=3 128 B7R1.2 O=C1CCC(=O)O1 SBB040819 [2,0,0,0,0,0|1,0,1]=4 129 B7R1.2 O=C1CSC(=O)N1 SBB000047 [2,0,0,0,0,0|1,0,1]=4 130 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [2,0,0,0,0,0|2,0,0]=4 131 B9R0.7 C[S+](C)CCC(N)C(=O)O SBB067713 [0,1,1,0,0,0|2,0,0]=4 132 B9R0.7 NC(CCC(=O)O)C(=O)O SBB067835 [0,1,1,0,0,0|0,0,0]=2 133 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB006707 [0,1,1,0,0,0|0,0,0]=2 134 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB008782 [0,1,1,0,0,0|0,0,0]=2 135 B9R0.7 O=C(O)CCC(=O)C(=O)O SBB056419 [0,1,1,0,0,0|1,0,1]=4 136 B9R0.7 OC(=O)C(CCS(C)=O)N SBB012363 [0,1,1,0,0,0|1,0,0]=3 137 B9R0.7 OC(=O)C(CC[S+](C)C)N SBB017051 [0,1,1,0,0,0|2,0,0]=4 138 B9R0.7 OC(=O)[C@@H](CC[S+](C)C)N SBB017003 [0,1,1,0,0,0|2,0,0]=4 139 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SBB058732 [0,1,1,0,0,0|0,0,0]=2 140 B9R0.8 COC(=O)C(N)CCCN SBB072642 [0,1,1,0,0,0|1,0,1]=4 141 B9R0.8 COC(=O)C(N)CCSC SBB003548 [0,1,1,0,0,0|2,0,0]=4 142 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [0,1,1,0,0,0|2,0,0]=4 143 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,1,1,0,0,0|1,0,1]=4 144 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,1,1,0,0,0|1,0,1]=4 145 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,1,1,0,0,0|1,0,1]=4 146 B9R0.23 O=C(O)CC(Br)C(=O)CBr SBB074340 [0,1,1,0,0,0|2,0,0]=4 147 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [0,1,1,0,0,0|2,0,0]=4 148 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,1,1,0,0,0|2,0,0]=4 149 B9R0.48 CCNC(=O)\C=C/C(=O)O SBB028463 [0,1,1,0,0,0|1,0,1]=4 150 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [0,1,1,0,0,0|1,0,1]=4 151 B9R0.48 OC(=O)CSC(=S)OCC SBB058117 [0,1,1,0,0,0|1,1,0]=4 152 B9R0.33 CC(C)[C@H](NC=O)C(=O)O SBB067253 [0,1,1,0,0,0|0,0,0]=2 153 B9R0.39 CC(=O)NC(CO)C(=O)O SBB028465 [0,1,1,0,0,0|1,0,0]=3 154 B9R0.39 CC(=O)NC(CS)C(=O)O SBB007593 [0,1,1,0,0,0|1,0,0]=3 155 B9R0.11 CC(C)(CC(=O)O)C(=O)O SBB061664 [0,1,1,0,0,0|2,0,0]=4 156 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O SBB067433 [0,1,1,0,0,0|2,0,0]=4 157 B9R0.1 COC(=O)CCCC(=O)Cl SBB067933 [0,1,1,0,0,0|1,0,0]=3 158 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,1,1,0,0,0|1,0,0]=3 159 B9R0.1 COC(=O)CCC[N+](=O)[O-] SBB013240 [0,1,1,0,0,0|2,0,0]=4 160 B9R0.53 CC(CC(=O)O)CC(=O)O SBB069122 [0,1,1,0,0,0|1,0,0]=3 161 B9R0.53 CN(CC(=O)O)CC(=O)O SBB053605 [0,1,1,0,0,0|2,0,0]=4 162 B9R0.53 O=C(O)CC(=O)CC(=O)O SBB065807 [0,1,1,0,0,0|1,0,1]=4 163 B9R0.53 O=C(O)CS(=O)CC(=O)O SBB300904 [0,1,1,0,0,0|2,0,0]=4 164 B9R1.11 COC(=O)C1CCCC1 SBB071502 [1,1,0,0,0,0|1,0,1]=4 165 B9R1.11 COC(=O)C1CCCN1 SBB046302 [1,1,0,0,0,0|0,0,1]=3 166 B9R1.11 COC(=O)C1CCCN1 SBB054027 [1,1,0,0,0,0|0,0,1]=3 167 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [1,1,0,0,0,0|0,0,1]=3 168 B9R1.41 CN1CCCC1C(=O)O SBB108828 [1,1,0,0,0,0|0,0,1]=3 169 B9R1.163 CC1(C(=O)O)CCCO1 SBB012745 [1,1,0,0,0,0|1,0,1]=4 170 B9R1.163 OC(=O)C1(N)CCCC1 SBB004230 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.3 O=CN1CCC(C(=O)O)CC1 SBB053321 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.21 CC1=C(C)CC(C(=O)O)CC1 SBB302002 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.21 CN1CC(C(=O)O)CCC1=O SBB025081 [0,1,0,0,0,1|0,0,0]=2 174 B11R1.21 CN1N=C(C(=O)O)CCC1=O SBB007511 [0,1,0,0,0,1|0,0,1]=3 175 B11R1.22 COC(=O)C1=NNC(=O)CC1 SBB079247 [0,1,0,0,0,1|0,0,1]=3 176 B11R1.645 O=C(O)CC1NC(=O)NC1=O SBB006734 [0,1,0,0,0,1|1,0,1]=4 177 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 SBB010627 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 SBB051442 [0,1,0,0,0,1|1,0,0]=3 179 B11R1.74 O=C1CC(C(=O)O)NC(=O)N1 SBB067412 [0,1,0,0,0,1|0,0,1]=3 180 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [0,2,0,0,0,0|0,0,0]=2 181 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [0,2,0,0,0,0|0,0,0]=2 182 B11R1.226 COC(=O)C1CC(=O)N(C)C1 SBB054021 [0,2,0,0,0,0|2,0,0]=4 183 B11R1.48 CCN1CC(C(=O)O)CC1=O SBB010386 [0,2,0,0,0,0|2,0,0]=4 184 B11R1.489 CC1(C)OC(=O)CC1C(=O)O SBB010398 [0,2,0,0,0,0|2,0,0]=4 185 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [0,0,1,1,0,0|2,0,0]=4 186 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,0,1,1,0,0|1,0,1]=4 187 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,0,1,1,0,0|2,0,0]=4 188 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [0,0,1,1,0,0|1,0,1]=4 189 B9R1.179 C=CCC1(C(=O)O)CC1 SBB053467 [0,0,1,1,0,0|2,0,0]=4 190 B9R1.53 CC(=O)OC1CC(=O)N1 SBB056246 [0,0,1,1,0,0|2,0,0]=4 191 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O SBB056352 [1,0,0,1,0,0|1,0,0]=3 192 B11R2.139 N1C(=O)NC2C1NC(=O)N2 SBB004149 [0,0,0,1,0,1|2,0,0]=4 193 B7R0.16 CC(=O)C(Cl)C(C)=O SBB058797 [0,0,1,0,1,0|2,0,0]=4 194 B7R0.16 CC(=O)N(C)C(C)=O SBB007865 [0,0,1,0,1,0|2,0,0]=4 195 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,0,1,0,1,0|2,0,0]=4 196 B7R1.10 O=C1CC(CO)C1 SBB054867 [1,0,0,0,1,0|1,0,1]=4 197 B7R1.18 NC(=O)C1CCC1 SBB111823 [1,0,0,0,1,0|1,0,1]=4 198 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [1,0,0,0,1,0|1,0,1]=4 199 B7R1.18 O=C(O)C1CCC1 SBB053465 [1,0,0,0,1,0|0,0,1]=3 200 B7R1.18 O=C(O)C1CCN1 SBB053470 [1,0,0,0,1,0|0,0,0]=2 201 B7R1.18 O=C(O)C1CNC1 SBB027353 [1,0,0,0,1,0|1,0,1]=4 202 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [1,0,0,0,1,0|0,0,0]=2 203 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,0,0,2,0|1,0,1]=4 204 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,0,1,0,0,1|1,0,0]=3 205 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,0,1,0,0,1|2,0,0]=4 206 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,0,1,0,0,1|1,0,0]=3 207 B9R0.55 NC(=O)CCCCC(N)=O SBB040916 [0,0,1,0,0,1|1,0,0]=3 208 B9R0.55 NC(=O)NCCCC(=O)O SBB027988 [0,0,1,0,0,1|0,0,0]=2 209 B9R0.55 O=C(Cl)CCCCC(=O)Cl SBB058892 [0,0,1,0,0,1|2,0,0]=4 210 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [0,0,1,0,0,1|1,0,0]=3 211 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,0,0,0,0,1|1,0,1]=4 212 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [1,0,0,0,0,1|1,0,1]=4 213 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [1,0,0,0,0,1|1,0,1]=4 214 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [1,0,0,0,0,1|0,0,1]=3 215 B11R1.20 CC(=O)NC1CCC(=O)CC1 SBB062705 [0,0,0,0,0,2|2,0,0]=4 216 B11R1.20 O=C(O)CN1CCC(=O)CC1 SBB010385 [0,0,0,0,0,2|2,0,0]=4 217 B11R1.75 O=C(O)CCC1CCC(=O)N1 SBB301699 [0,0,0,0,0,2|0,0,0]=2 218 B11R1.157 O=C(O)CN1CCOC(=O)C1 SBB002793 [0,0,0,0,0,2|2,0,0]=4