0 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C=C(NC)C(=O)O DB03920 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CCC(=O)C(=O)O DB04553 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 O=C(O)C(=O)CO DB02951 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 C=C(Br)CCO DB04592 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CC(=O)CCO DB04094 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CC(O)CCO DB14110 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCCC(=O)O DB03568 [1,0,0,0,0,0|0,0,0]=1 21 B5R0.1 CCCC(N)=O DB02121 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CCSC(=N)N DB02234 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CC[Se]C(=N)N DB02589 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CSCC(=O)[O-] DB03517 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CSC[S@](C)=O DB02311 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 C[C@H](O)CCO DB02202 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|0,0,2]=3 30 B5R0.1 NCCC(=O)O DB03107 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 NOCC(=O)O DB02079 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 O=C(O)CCO DB03688 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.3 O=C[C@H](O)CO DB02536 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.3 OC[C@@H](O)CS DB03864 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.5 C=C(N)C(=O)O DB02688 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.5 CC(=O)C(N)=O DB03578 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.5 CC(C)C(=O)O DB02531 [1,0,0,0,0,0|0,0,0]=1 41 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.5 NC(=O)C(=O)O DB03940 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.5 O=C(O)C(=O)O DB03902 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,1,0,0,0,0|0,0,0]=1 58 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.15 CCN(CC)C(=S)S DB02520 [0,1,0,0,0,0|1,2,0]=4 60 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.16 NC(C(=O)O)C(=O)O DB02289 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,1,0,0,0,0|1,0,0]=2 70 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,0,0,1,0,0|1,0,0]=2 72 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,0,0,0,0,1|2,0,0]=3 73 B4R0.1 C=CC(=O)O DB02579 [2,0,0,0,0,0|0,0,2]=4 74 B4R0.1 CC(=O)C=O DB03587 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 CC[C@@H](C)O DB02606 [2,0,0,0,0,0|0,0,0]=2 77 B4R0.1 CN(C)C=O DB01844 [2,0,0,0,0,0|1,0,0]=3 78 B4R0.1 C[C@@H](Cl)CCl DB01701 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 C[C@@H](O)CO DB02159 [2,0,0,0,0,0|1,0,0]=3 80 B4R0.1 C[C@H](O)C=O DB03776 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.1 C[C@H](O)CBr DB03335 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.1 C[C@H](O)CO DB04349 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.1 C[C@H](O)C[NH3+] DB02576 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 NCC(N)=O DB03636 [2,0,0,0,0,0|2,0,0]=4 85 B4R0.1 O=C(O)CBr DB02198 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 O=CC(=O)O DB04343 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.2 CCCCN DB03659 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.2 CCCCO DB02145 [2,0,0,0,0,0|0,0,1]=3 89 B4R0.2 COCCO DB02806 [2,0,0,0,0,0|1,0,1]=4 90 B4R0.2 C\C=C\C=O DB04381 [2,0,0,0,0,0|0,0,2]=4 91 B4R0.2 O=CCC=O DB03057 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.2 OCCCO DB02774 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.2 [C-]#[N+]CCC DB04050 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.1 CCNC(=O)OC DB03919 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.1 CCOC(=O)NC DB02856 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.2 CC(=O)CC(=O)O DB01762 [1,1,0,0,0,0|0,0,1]=3 97 B6R0.2 CC(C)CC(=O)O DB03750 [1,1,0,0,0,0|0,0,0]=2 98 B6R0.2 CN(C)CC(=O)O DB02083 [1,1,0,0,0,0|1,0,0]=3 99 B6R0.2 NC(=O)CC(=O)O DB02649 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.2 O=C(O)CC(=O)O DB02175 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.4 CCCCB(O)O DB02664 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.4 CCCCC(=O)O DB02406 [1,1,0,0,0,0|0,0,0]=2 103 B6R0.4 CCCOC(C)=O DB01670 [1,1,0,0,0,0|1,0,0]=3 104 B6R0.5 CCOP(=O)(O)O DB03822 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.7 CC(C)(N)C(=O)O DB02952 [1,1,0,0,0,0|0,0,0]=2 106 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O DB01739 [0,1,0,0,0,1|0,0,0]=2 107 B8R0.23 CN(CC(=O)O)C(N)N DB02490 [0,1,0,0,0,1|2,0,0]=4 108 B8R0.8 C(OC)=C[C@H](N)C(=O)O DB03611 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.8 CCCC[C@@H](N)C(=O)O DB04419 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.8 CSCCC(=O)C(=O)O DB02238 [0,2,0,0,0,0|1,0,1]=4 111 B8R0.8 CSCCC(N)C(=O)O DB13972 [0,2,0,0,0,0|1,0,0]=3 112 B8R0.8 CSCC[C@@H](N)C(=O)O DB02893 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.8 CSCC[C@H](N)[P@H](=O)O DB04015 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O DB02750 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.8 NOCC[C@H](N)C(=O)O DB02821 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.8 N[C@@H](CCC=O)C(=O)O DB04388 [0,2,0,0,0,0|1,0,0]=3 117 B8R0.8 N[C@@H](CCCO)C(=O)O DB03105 [0,2,0,0,0,0|1,0,0]=3 118 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O DB01808 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.8 [C@H](N)(CSSC)C(=O)O DB02361 [0,2,0,0,0,0|1,0,0]=3 120 B8R0.8 [NH3+][C@@H](CCC=O)C(=O)O DB03774 [0,2,0,0,0,0|1,0,0]=3 121 B8R0.27 [C@H](N)(C(=O)O)C(F)(F)F DB03794 [0,2,0,0,0,0|2,0,0]=4 122 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|0,0,0]=2 123 B8R1.4 C[C@H]1CC=CC(=O)O1 DB14121 [0,0,0,1,0,1|1,0,1]=4 124 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,1,0,1,0,0|0,0,0]=2 125 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,1,0,1,0,0|0,0,0]=2 126 B8R1.7 O=C([O-])C1=[NH+]CCC1 DB02838 [0,1,0,1,0,0|0,0,2]=4 127 B8R1.7 [C@@H]1(C(=O)O)CSCN1 DB02846 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.70 NC1([P@@](=O)([O-])O)CC1 DB03053 [0,1,0,1,0,0|2,0,0]=4 129 B8R0.9 [C@@H](N)(CC)CCC(=O)O DB04235 [0,0,0,0,0,2|1,0,0]=3