0 B7R0.4 NC(=[NH2+])NCCCO DB03637 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.4 O=C(O)CCCCO DB04781 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.4 O=P(=O)OCCC[O-] DB04755 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.4 CCCCB(O)O DB02664 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.4 CCCCC(=O)O DB02406 [1,0,0,0,0,0|0,0,0]=1 6 B6R0.4 CCCOC(C)=O DB01670 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.6 NCCCCCN DB03854 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 O=CCCCC=O DB03266 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.6 C=C[C@@H](O)CCCCC DB03025 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.6 CCCCNC(=N)NO DB02727 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.6 N\C(=N/CCC[NH3+])NO DB04197 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.7 CCCCCCC(=O)O DB02938 [0,1,0,0,0,0|0,0,0]=1 13 B8R0.7 CCCCCCC(N)=O DB02641 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.7 N=C(N)NCCCCN DB08838 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.8 C(OC)=C[C@H](N)C(=O)O DB03611 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.8 CCCC[C@@H](N)C(=O)O DB04419 [0,1,0,0,0,0|0,0,0]=1 17 B8R0.8 CSCCC(=O)C(=O)O DB02238 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.8 CSCCC(N)C(=O)O DB13972 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.8 CSCC[C@@H](N)C(=O)O DB02893 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.8 CSCC[C@H](N)[P@H](=O)O DB04015 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O DB02750 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.8 NOCC[C@H](N)C(=O)O DB02821 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.8 N[C@@H](CCC=O)C(=O)O DB04388 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.8 N[C@@H](CCCO)C(=O)O DB03105 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O DB01808 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.8 [C@H](N)(CSSC)C(=O)O DB02361 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.8 [NH3+][C@@H](CCC=O)C(=O)O DB03774 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.9 C(C)=C(/N)CCC(=O)O DB01699 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.9 O=C(O)CCC(=O)CF DB02828 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.9 [C@@H](N)(CC)CCC(=O)O DB04235 [0,1,0,0,0,0|0,0,0]=1 31 B8R0.28 O=C(O)CCCC(=O)O DB03553 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.1 [C@@H]1(C=O)CCC(O)=N1 DB03901 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.4 C[C@H]1CC=CC(=O)O1 DB14121 [0,0,0,1,0,0|0,0,2]=3 34 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,0,0,1,0,0|1,0,0]=2 36 B8R1.7 O=C([O-])C1=[NH+]CCC1 DB02838 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.7 [C@@H]1(C(=O)O)CSCN1 DB02846 [0,0,0,1,0,0|2,0,0]=3 38 B5R0.1 CC(=O)CCO DB04094 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 CCCC(=O)O DB03568 [2,0,0,0,0,0|0,0,0]=2 40 B5R0.1 CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.1 CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.1 C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.1 C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|0,0,2]=4 45 B5R0.1 NCCC(=O)O DB03107 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 NOCC(=O)O DB02079 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 O=C(O)CCO DB03688 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.2 CCCCC=O DB01919 [2,0,0,0,0,0|0,0,0]=2 49 B5R0.2 CCCCCN DB02045 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.2 CCOCCO DB02249 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.2 NCCCCN DB01917 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.2 OCCCCO DB01955 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.2 [C-]#[N+]CCCC DB01826 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.2 [NH3+]CCCCO DB02541 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.3 CCCCC(O)CO DB14108 [1,1,0,0,0,0|0,0,2]=4 57 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [1,1,0,0,0,0|0,0,0]=2 59 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [1,1,0,0,0,0|1,0,0]=3 61 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.6 CC(=O)CCC(=O)O DB02239 [1,1,0,0,0,0|0,0,1]=3 69 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [1,1,0,0,0,0|0,0,2]=4 70 B7R0.6 CC(=O)NCC(=O)O DB02713 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.6 CC(C)CCC(=O)O DB03993 [1,1,0,0,0,0|0,0,0]=2 72 B7R0.8 CCCCP(=O)(O)O DB03999 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.1 NCCCCCCN DB03260 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.1 OCCCCCCBr DB04637 [1,1,0,0,0,0|0,0,1]=3 75 B7R0.1 OCCCCCCO DB02210 [1,1,0,0,0,0|0,0,1]=3 76 B9R0.53 O=C(O)CC(O)CC(=O)O DB04594 [0,2,0,0,0,0|1,0,1]=4 77 B9R0.58 C[C@@](O)(CCO)CC(=O)O DB03518 [0,2,0,0,0,0|1,0,0]=3 78 B9R0.5 CCCCC[C@H](C)NC=O DB03061 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.8 [C@@H](O)(CO)[C@H](O)CCCC DB04079 [0,2,0,0,0,0|0,0,2]=4 80 B9R0.47 NC(=O)[C@@H](N)CCCC[NH3+] DB03988 [0,2,0,0,0,0|1,0,0]=3 81 B9R0.47 NCCCC[C@@H](N)C(=O)O DB03252 [0,2,0,0,0,0|0,0,0]=2 82 B9R0.47 N[C@@H](CCCC=O)C(=O)O DB02571 [0,2,0,0,0,0|0,0,1]=3 83 B9R0.47 N[C@@H](CCCCO)C(=O)O DB03412 [0,2,0,0,0,0|0,0,0]=2 84 B9R0.47 N[C@@H](CSCCO)C(=O)O DB02413 [0,2,0,0,0,0|1,0,0]=3 85 B9R0.47 [C@@H](N)(CCCCO)C(=O)O DB02233 [0,2,0,0,0,0|0,0,0]=2 86 B9R0.2 CCCCCCCC(=O)O DB04519 [0,2,0,0,0,0|0,0,0]=2 87 B9R0.3 CCCC[C@H](N)P(=O)(O)O DB02088 [0,2,0,0,0,0|1,0,0]=3 88 B9R0.3 CSCC[C@H](N)P(=O)(O)O DB02151 [0,2,0,0,0,0|2,0,0]=4 89 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DB01837 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.7 C[S@@](=O)CC[C@H](N)C(=O)O DB02235 [0,2,0,0,0,0|1,0,0]=3 91 B9R0.7 C[S@](=O)CC[C@H](N)C(=O)O DB02467 [0,2,0,0,0,0|1,0,0]=3 92 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O DB02174 [0,2,0,0,0,0|1,0,1]=4 93 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O DB03091 [0,2,0,0,0,0|1,0,1]=4 94 B9R0.7 N[C@H](CCC(=O)O)C(=O)O DB02517 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.7 [C@H](N)(CCC(C)=O)C(=O)O DB04296 [0,2,0,0,0,0|0,0,1]=3 96 B9R0.7 [C@H](N)(CC[Se](C)=O)C(=O)O DB02958 [0,2,0,0,0,0|1,0,0]=3 97 B9R0.7 [C@H](N)(CSC(C)=O)C(=O)O DB02039 [0,2,0,0,0,0|1,0,1]=4 98 B9R0.7 [C@H](N)(CS[As](C)C)C(=O)O DB03963 [0,2,0,0,0,0|2,0,0]=4 99 B9R0.42 C[C@H](CF)C[C@H](N)C(=O)O DB02542 [0,2,0,0,0,0|1,0,0]=3 100 B7R1.3 O=C1CCCCC1 DB02060 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.3 OC1CCCCC1 DB03703 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.4 N[C@@H]1CCOC1=O DB02624 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.41 [C@@H]1(C)C=CN[C@H]1C(=O)O DB03930 [0,1,0,1,0,0|0,0,2]=4 104 B9R1.6 O=C(O)C1=CCCNC1 DB08848 [0,1,0,1,0,0|0,0,2]=4 105 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 DB08847 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.69 [C@H]1(O)CC[C@H](O)O[C@@H]1C DB03872 [0,1,0,1,0,0|0,0,2]=4 107 B9R1.112 [C@H]1(C[C@H](N)C(=O)O)CO1 DB03191 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.163 NC1(C(=O)O)CCCC1 DB04620 [0,1,0,1,0,0|0,0,0]=2 109 B9R2.39 [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,0,0,2,0,0|1,0,0]=3