0 B9R1.35 C(=O)([C@H]1NC(=O)CC1)O T0507 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.35 O=C(O)C1CCC(N1)=O T9371 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 T31268 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.35 OC(=O)[C@@H]1CSC(=O)N1 T5365 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 T4814 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 OC1CCC(=C1)C(O)=O T24146 [0,0,0,0,0,0|1,0,3]=4 6 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O T37512 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O T2A2476 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O T4712 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 COC1CCC(=O)N1 TN4855 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.7 C1[C@@H](NCS1)C(=O)O T21115 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.7 OC(=O)C1CSCN1 T0221 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.7 OC(=O)C1CSSC1 T10388 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [1,0,0,0,0,0|0,0,1]=2 16 B8R1.7 OC(=O)[C@@H]1CSCN1 T4292 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [1,0,0,0,0,0|0,0,1]=2 18 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,0,0,0,0,0|0,0,3]=4 19 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [1,0,0,0,0,0|0,0,1]=2 20 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 T12016 [0,1,0,0,0,0|0,0,0]=1 21 B10R1.59 N[C@H]1CC(=C)C[C@H]1C(O)=O T27580 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [0,0,1,0,0,0|1,0,1]=3 23 B8R0.8 CCCCC(C)C(O)=O T8080 [0,0,1,0,0,0|2,0,1]=4 24 B8R0.8 CCCCC(O)C(O)=O T5224 [0,0,1,0,0,0|2,0,1]=4 25 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,0,1,0,0,0|1,0,1]=3 26 B8R0.8 COCCC(N)C(O)=O T33328 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.8 CSCCC(N)C(O)=O TJO2742 [0,0,1,0,0,0|2,0,0]=3 28 B8R0.8 CSCCC(O)C(O)=O T20705 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [0,0,1,0,0,0|2,0,0]=3 30 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [0,0,1,0,0,0|2,0,0]=3 32 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [0,0,1,0,0,0|2,0,0]=3 34 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [0,0,1,0,0,0|1,0,1]=3 35 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [0,0,1,0,0,0|1,0,1]=3 36 B8R0.8 NOCC[C@H](N)C(O)=O T11802 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.8 N[C@@H](CCC#C)C(O)=O T15694 [0,0,1,0,0,0|1,0,1]=3 38 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.9 COC(=O)CCC(C)=O TN4548 [0,0,1,0,0,0|3,0,0]=4 40 B8R0.9 NCC(=O)CCC(O)=O T14047 [0,0,1,0,0,0|2,0,0]=3 41 B8R0.9 NCC(=O)CCC(O)=O T1662 [0,0,1,0,0,0|2,0,0]=3 42 B8R0.9 NCC(=O)NCC(O)=O T5286 [0,0,1,0,0,0|1,0,0]=2 43 B8R0.23 C/C(=C/C(O)=O)C(O)=O T4525 [0,0,1,0,0,0|2,0,1]=4 44 B8R0.23 CC(=CC(=O)O)C(=O)O T20880 [0,0,1,0,0,0|2,0,1]=4 45 B8R0.23 CC(CC(O)=O)C(O)=O T5231 [0,0,1,0,0,0|2,0,0]=3 46 B8R0.23 CS(=O)C[C@@H](N)C(O)=O T19759 [0,0,1,0,0,0|3,0,0]=4 47 B8R0.23 C[C@H](NC(C)=O)C(O)=O T4839 [0,0,1,0,0,0|0,0,0]=1 48 B8R0.23 NC(CC(N)=O)C(O)=O TN3877 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T2O2774 [0,0,1,0,0,0|3,0,0]=4 50 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T8392 [0,0,1,0,0,0|3,0,0]=4 51 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T19399 [0,0,1,0,0,0|3,0,0]=4 52 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T2O2731 [0,0,1,0,0,0|3,0,0]=4 53 B8R0.23 N[C@H](CC(N)=O)C(O)=O TN3748 [0,0,1,0,0,0|3,0,0]=4 54 B8R0.23 N[C@H](CC(O)=O)C(O)=O T4885 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.23 OC(CC(O)=O)C(O)=O T20113 [0,0,1,0,0,0|3,0,0]=4 56 B8R0.23 OC(CC(O)=O)C(O)=O T2S0850 [0,0,1,0,0,0|3,0,0]=4 57 B8R0.23 O[C@@H](CC(O)=O)C(O)=O T4838 [0,0,1,0,0,0|3,0,0]=4 58 B8R0.28 CC(=O)NCCC(O)=O T1373 [0,0,1,0,0,0|2,0,0]=3 59 B8R0.28 NC(=N)NCCC(O)=O T7535 [0,0,1,0,0,0|2,0,0]=3 60 B8R0.28 NC(=O)NCCC(O)=O T4919 [0,0,1,0,0,0|1,0,0]=2 61 B8R0.28 OC(=O)CCCC(O)=O T4794 [0,0,1,0,0,0|1,0,0]=2 62 B8R0.28 OC(=O)CSCC(O)=O T19746 [0,0,1,0,0,0|2,0,0]=3 63 B10R1.13 NC1=NCC(CN1)C(O)=O T23787 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,0,0,0,0,1|0,0,3]=4 65 B10R1.13 OC1CCC(CC1)C(O)=O T19135 [0,0,0,0,0,1|1,0,2]=4 66 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O T8091 [0,0,0,0,0,1|1,0,2]=4 67 B10R1.113 CC1=N[C@@H](CCN1)C(O)=O T4038 [0,0,0,0,0,1|1,0,1]=3 68 B7R0.4 NCCCCC(O)=O T5089 [1,0,1,0,0,0|0,0,1]=3 69 B7R0.5 C#CCC(C(=O)O)N T20129 [1,0,1,0,0,0|0,0,2]=4 70 B7R0.5 CC(CC=C)C(O)=O T8058 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.5 CCCC(C)C(O)=O T5685 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.5 CCCC(N)C(O)=O T11054 [1,0,1,0,0,0|0,0,1]=3 73 B7R0.5 CCC[C@H](N)C(O)=O T4788 [1,0,1,0,0,0|0,0,1]=3 74 B7R0.5 CSC[C@H](N)C(O)=O T8072 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.5 C[Se]C[C@H](N)C(O)=O T7727 [1,0,1,0,0,0|1,0,1]=4 76 B7R0.5 NC(CC=C)C(O)=O T25052 [1,0,1,0,0,0|0,0,1]=3 77 B7R0.5 NC(CCS)C(O)=O T4863 [1,0,1,0,0,0|0,1,0]=3 78 B7R0.5 NCC[C@H](N)C(O)=O T7595 [1,0,1,0,0,0|1,0,0]=3 79 B7R0.5 N[C@@H](CC#N)C(O)=O T13576 [1,0,1,0,0,0|1,0,1]=4 80 B7R0.5 N[C@@H](CC=C)C(O)=O T37190 [1,0,1,0,0,0|0,0,1]=3 81 B7R0.5 N[C@@H](CCO)C(O)=O T4757 [1,0,1,0,0,0|0,0,1]=3 82 B7R0.5 N[C@@H](CCS)C(O)=O T19392 [1,0,1,0,0,0|0,1,0]=3 83 B7R0.5 N[C@@H](CNC)C(O)=O T22911 [1,0,1,0,0,0|1,0,1]=4 84 B7R0.5 N[C@@H](CSS)C(O)=O T26269 [1,0,1,0,0,0|1,1,0]=4 85 B7R0.6 CC(=O)CCC(O)=O T5551 [1,0,1,0,0,0|1,0,0]=3 86 B7R0.6 CC(=O)NCC(O)=O T4822 [1,0,1,0,0,0|0,0,0]=2 87 B7R0.6 NC(=N)NCC(O)=O T4238 [1,0,1,0,0,0|2,0,0]=4 88 B7R0.6 OC(=O)CCC(O)=O T2719 [1,0,1,0,0,0|2,0,0]=4 89 B7R0.15 CCC(CC)C(O)=O T8027 [1,0,1,0,0,0|1,0,1]=4 90 B7R1.2 O=C1CCC(=O)O1 T18723 [2,0,0,0,0,0|1,0,1]=4 91 B7R1.2 OC1CCC(=O)N1 TN3117 [2,0,0,0,0,0|0,0,0]=2 92 B9R0.7 C(=O)([C@@H](N)CCC(=O)N)O T0326L [0,1,1,0,0,0|0,0,0]=2 93 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T4722 [0,1,1,0,0,0|1,0,0]=3 94 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T8095 [0,1,1,0,0,0|1,0,0]=3 95 B9R0.7 CC(CCC(O)=O)C(O)=O T5063 [0,1,1,0,0,0|1,0,0]=3 96 B9R0.7 CC(CCC(O)=O)C(O)=O T5260 [0,1,1,0,0,0|1,0,0]=3 97 B9R0.7 CS(=O)CCC(N)C(O)=O T19418 [0,1,1,0,0,0|1,0,0]=3 98 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O T19265 [0,1,1,0,0,0|1,0,0]=3 99 B9R0.7 CS(=O)CC[C@H](N)C(O)=O T19397 [0,1,1,0,0,0|1,0,0]=3 100 B9R0.7 C[S+](C)CCC(N)C(O)=O T7908 [0,1,1,0,0,0|2,0,0]=4 101 B9R0.7 C[S+](C)CC[C@H](N)C(O)=O T19919 [0,1,1,0,0,0|2,0,0]=4 102 B9R0.7 NC(CCC(N)=O)C(O)=O T0326 [0,1,1,0,0,0|0,0,0]=2 103 B9R0.7 NC(CCC(O)=O)C([O-])=O T20365 [0,1,1,0,0,0|0,0,1]=3 104 B9R0.7 NC(CCC(O)=O)C([O-])=O T30691 [0,1,1,0,0,0|0,0,1]=3 105 B9R0.7 NC(CCC(O)=O)C([O-])=O T35369 [0,1,1,0,0,0|0,0,1]=3 106 B9R0.7 NC(CCC([O-])=O)C([O-])=O T31941 [0,1,1,0,0,0|0,0,1]=3 107 B9R0.7 NC(CC[C@H](N)C(O)=O)=O T34105 [0,1,1,0,0,0|0,0,0]=2 108 B9R0.7 N[C@@H](CCC(N)=O)C(N)=O T25454 [0,1,1,0,0,0|1,0,0]=3 109 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T24594 [0,1,1,0,0,0|0,0,0]=2 110 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T2A2497 [0,1,1,0,0,0|0,0,0]=2 111 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T31266 [0,1,1,0,0,0|0,0,0]=2 112 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T34937 [0,1,1,0,0,0|0,0,0]=2 113 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O T6871 [0,1,1,0,0,0|0,0,1]=3 114 B9R0.7 N[C@@H](CC[14C](O)=O)C(O)=O T32734 [0,1,1,0,0,0|0,0,0]=2 115 B9R0.7 N[C@@H](CNC(N)=O)C(O)=O T20121 [0,1,1,0,0,0|1,0,0]=3 116 B9R0.7 N[C@H](CCC(N)=O)C(O)=O T6468 [0,1,1,0,0,0|0,0,0]=2 117 B9R0.7 N[C@H](CCC(O)=O)C(O)=O T10935 [0,1,1,0,0,0|0,0,0]=2 118 B9R0.7 N[C@H](CCS(C)=O)C(O)=O T19264 [0,1,1,0,0,0|1,0,0]=3 119 B9R0.7 OC(=O)CCC(=O)C(O)=O T21024 [0,1,1,0,0,0|1,0,1]=4 120 B9R0.7 OC(=O)CCC(=O)C(O)=O T5980 [0,1,1,0,0,0|1,0,1]=4 121 B9R0.7 OC(CCC([O-])=O)C([O-])=O T21665 [0,1,1,0,0,0|1,0,1]=4 122 B9R0.7 O[C@@H](CCC(O)=O)C(O)=O T13749 [0,1,1,0,0,0|1,0,0]=3 123 B9R0.7 O[C@@H](CCC([O-])=O)C([O-])=O T13748 [0,1,1,0,0,0|1,0,1]=4 124 B9R0.7 O[C@H](CCC([O-])=O)C([O-])=O T6820 [0,1,1,0,0,0|1,0,1]=4 125 B9R0.42 N[C@@H](CN(O)N=O)C(O)=O T15691 [0,1,1,0,0,0|2,0,0]=4 126 B9R0.47 C/C=C/SC[C@H](N)C(O)=O T12789 [0,1,1,0,0,0|1,0,1]=4 127 B9R0.47 CCSCC[C@@H](C(O)=O)N T20128 [0,1,1,0,0,0|1,0,1]=4 128 B9R0.47 NCCCCC(N)C(O)=O T19290 [0,1,1,0,0,0|1,0,1]=4 129 B9R0.47 NCCCC[C@@H](N)C(O)=O T21054 [0,1,1,0,0,0|1,0,1]=4 130 B9R0.47 NCCCC[C@@H](N)C(O)=O T33065 [0,1,1,0,0,0|1,0,1]=4 131 B9R0.47 NCCCC[C@H](N)C(O)=O T21053 [0,1,1,0,0,0|1,0,1]=4 132 B9R0.47 NCCCC[C@H](N)C(O)=O T21055 [0,1,1,0,0,0|1,0,1]=4 133 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498 [0,1,1,0,0,0|1,0,1]=4 134 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498L2 [0,1,1,0,0,0|1,0,1]=4 135 B9R0.47 NCCCC[C@H](N)C(O)=O T32815 [0,1,1,0,0,0|1,0,1]=4 136 B9R0.47 NCCCC[C@H](N)C(O)=O T32819 [0,1,1,0,0,0|1,0,1]=4 137 B9R0.47 NCCCC[C@H](N)C(O)=O T33047 [0,1,1,0,0,0|1,0,1]=4 138 B9R0.47 NCCCC[C@H](N)C(O)=O T33050 [0,1,1,0,0,0|1,0,1]=4 139 B9R0.47 NCCCC[C@H](N)C(O)=O T33051 [0,1,1,0,0,0|1,0,1]=4 140 B9R0.47 NCCCC[C@H](N)C(O)=O T33054 [0,1,1,0,0,0|1,0,1]=4 141 B9R0.47 NCCCC[C@H](N)C(O)=O T33056 [0,1,1,0,0,0|1,0,1]=4 142 B9R0.47 NCCCC[C@H](N)C(O)=O T33057 [0,1,1,0,0,0|1,0,1]=4 143 B9R0.47 NCCCC[C@H](N)C(O)=O T33060 [0,1,1,0,0,0|1,0,1]=4 144 B9R0.47 NCCCC[C@H](N)C(O)=O T33061 [0,1,1,0,0,0|1,0,1]=4 145 B9R0.47 NCCCC[C@H](N)C(O)=O T33063 [0,1,1,0,0,0|1,0,1]=4 146 B9R0.47 NCCCC[C@H](N)C(O)=O T33089 [0,1,1,0,0,0|1,0,1]=4 147 B9R0.47 NCCCC[C@H](N)C(O)=O T8071 [0,1,1,0,0,0|1,0,1]=4 148 B9R0.47 NCCOC[C@H](N)C(O)=O T11795 [0,1,1,0,0,0|1,0,1]=4 149 B9R0.47 NCC[Se]C[C@H](N)C(O)=O T26183 [0,1,1,0,0,0|1,0,1]=4 150 B9R0.47 N[C@@H](CCCCN)C(O)=O T24153 [0,1,1,0,0,0|1,0,1]=4 151 B9R0.47 N[C@@H](CCCCN)C(O)=O T2A2498L3 [0,1,1,0,0,0|1,0,1]=4 152 B9R0.47 N[C@@H](CCN=[N+]=[N-])C(O)=O T15693 [0,1,1,0,0,0|2,0,0]=4 153 B9R0.47 N[C@@H](CCSC=C)C(O)=O T35061 [0,1,1,0,0,0|1,0,0]=3 154 B9R0.47 N[C@@H](CCSN=O)C(O)=O T26199 [0,1,1,0,0,0|1,0,0]=3 155 B9R0.47 N[C@@H](CSCC#C)C(O)=O T19728 [0,1,1,0,0,0|1,0,1]=4 156 B9R0.47 N[C@@H](CSCCN)C(O)=O T34844 [0,1,1,0,0,0|1,0,1]=4 157 B9R0.47 OC(=O)[C@@H](N)CSCC=C T2772 [0,1,1,0,0,0|1,0,0]=3 158 B9R0.23 CN(CC(O)=O)C(=O)CN T8915 [0,1,1,0,0,0|1,0,0]=3 159 B9R0.24 CNC(=O)CNC(=O)CN T13693 [0,1,1,0,0,0|2,0,0]=4 160 B9R0.24 COC(=O)CCC(=O)CN T19421 [0,1,1,0,0,0|2,0,0]=4 161 B9R0.24 COC(=O)CCC(=O)CN T5002 [0,1,1,0,0,0|2,0,0]=4 162 B9R0.24 COC(=O)CCC(=O)OC T5696 [0,1,1,0,0,0|2,0,0]=4 163 B9R0.48 CCOC(=O)/C=C/C(O)=O TN6813 [0,1,1,0,0,0|1,0,1]=4 164 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O T5518 [0,1,1,0,0,0|2,0,0]=4 165 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O T0875 [0,1,1,0,0,0|1,0,0]=3 166 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O T33570 [0,1,1,0,0,0|1,0,0]=3 167 B9R0.39 CC(=O)N[C@H](CS)C(O)=O T38155 [0,1,1,0,0,0|1,0,0]=3 168 B9R0.39 CN[C@H](CC(=O)O)C(=O)O T6608 [0,1,1,0,0,0|2,0,0]=4 169 B9R0.39 NC(=N)N[C@@H](CS)C(O)=O T11668 [0,1,1,0,0,0|2,0,0]=4 170 B9R0.11 CC(C)(CC(O)=O)C(O)=O T19092 [0,1,1,0,0,0|2,0,0]=4 171 B9R0.1 COC(=O)CCCC(O)=O T4764 [0,1,1,0,0,0|1,0,0]=3 172 B9R0.1 OC(=O)CCNC(=O)CBr T16222 [0,1,1,0,0,0|2,0,0]=4 173 B9R0.53 CC(CC(O)=O)CC(O)=O T4766 [0,1,1,0,0,0|1,0,0]=3 174 B9R0.53 OC(=O)CC(=O)CC(O)=O T5614 [0,1,1,0,0,0|1,0,1]=4 175 B9R0.53 OC(CC(O)=O)CC(O)=O TQ0024 [0,1,1,0,0,0|1,0,0]=3 176 B9R1.41 CN1CCC[C@H]1C(O)=O T40569 [1,1,0,0,0,0|0,0,1]=3 177 B9R1.41 NC1CCCC1C(O)=O T27023 [1,1,0,0,0,0|1,0,1]=4 178 B9R1.163 NC1(CCCC1)C(O)=O T9626 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.21 CN1N=C(CCC1=O)C(N)=O T24443 [0,1,0,0,0,1|1,0,1]=4 180 B11R1.74 OC(=O)C1CC(=O)NC(=O)N1 T32116 [0,1,0,0,0,1|0,0,1]=3 181 B11R1.74 OC(=O)[C@@H]1CC(=O)NC(=O)N1 T4880 [0,1,0,0,0,1|0,0,1]=3 182 B9R1.6 OC(=O)C1CCCCN1 T4819 [0,0,1,1,0,0|1,0,1]=4 183 B9R1.6 OC(=O)[C@@H]1CCCCN1 T4762 [0,0,1,1,0,0|1,0,1]=4 184 B9R1.6 OC(=O)[C@H]1CCCCN1 T13634 [0,0,1,1,0,0|1,0,1]=4 185 B11R2.66 O=C1CN2C(CCC2=O)N1 T27178 [0,0,0,1,0,1|1,0,0]=3 186 B7R0.16 CC(C(O)=O)C(O)=O T4817 [0,0,1,0,1,0|1,0,0]=3 187 B7R0.16 NC(C(O)=O)C(O)=O T5244 [0,0,1,0,1,0|2,0,0]=4 188 B7R1.18 OC(=O)C1CCN1 T8100 [1,0,0,0,1,0|0,0,0]=2 189 B7R1.18 OC(=O)[C@@H]1CCN1 TN6928 [1,0,0,0,1,0|0,0,0]=2 190 B9R0.4 NCCC[C@@H](N)CC(O)=O T29260 [0,0,1,0,0,1|1,0,1]=4 191 B9R0.55 CC(=O)NCCCC(O)=O T4728 [0,0,1,0,0,1|1,0,0]=3 192 B9R0.55 CC(=O)OCCCC(O)=O T23605 [0,0,1,0,0,1|1,0,0]=3 193 B9R0.55 NC(=N)NCCCC(O)=O T4927 [0,0,1,0,0,1|1,0,0]=3 194 B9R0.55 NC(=O)CCCNC(N)=N T34878 [0,0,1,0,0,1|2,0,0]=4 195 B9R0.55 OC(=O)C/C=C/CC(O)=O T5246 [0,0,1,0,0,1|1,0,1]=4 196 B9R0.55 OC(=O)CCCCC(O)=O T2228 [0,0,1,0,0,1|1,0,0]=3 197 B9R0.55 OC(=O)CCCCC(O)=O T7146 [0,0,1,0,0,1|1,0,0]=3