0 B5R0.1 CC(=O)CCO DB04094 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CCCC(=O)O DB03568 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.1 CCCC(N)=O DB02121 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CCSC(=N)N DB02234 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC[Se]C(=N)N DB02589 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CSCC(=O)[O-] DB03517 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CSC[S@](C)=O DB02311 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C[Se]CC(=O)[O-] DB03098 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 C[Te]CC(=O)[O-] DB01918 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 C\C=C\C(=O)O DB02074 [0,0,0,0,0,0|0,0,0]=0 10 B5R0.1 NCCC(=O)O DB03107 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.1 NOCC(=O)O DB02079 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 O=C(O)CCO DB03688 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|0,0,0]=1 14 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 NCC(N)=O DB03636 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,0,3]=4 23 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|0,0,0]=1 25 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.1 CCNC(=O)OC DB03919 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.1 CCOC(=O)NC DB02856 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.2 CC(=O)CC(=O)O DB01762 [0,1,0,0,0,0|0,0,1]=2 29 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|0,0,2]=3 30 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.2 NC(=O)CC(=O)O DB02649 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.2 O=C(O)CC(=O)O DB02175 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,1,0,0,0,0|0,0,3]=4 35 B6R0.3 C=C(NC)C(=O)O DB03920 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,1,0,0,0,0|0,0,3]=4 37 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,1,0,0,0,0|0,0,2]=3 38 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|0,0,1]=2 39 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|0,0,2]=3 40 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|0,0,2]=3 41 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|0,0,0]=1 42 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.4 CCCCC(=O)O DB02406 [0,1,0,0,0,0|0,0,2]=3 48 B6R0.4 CCCOC(C)=O DB01670 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.5 CCOP(=O)(O)O DB03822 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.5 O=CCP(=O)(O)O DB03174 [0,1,0,0,0,0|2,0,1]=4 51 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,1,0,0|0,0,2]=3 53 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|1,1,0]=4 54 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,2]=4 55 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,1]=4 56 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,0]=3 57 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|1,0,1]=4 58 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|1,0,0]=3 59 B3R0.2 NC(=O)O DB04261 [2,0,0,0,0,0|1,0,0]=3 60 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|1,0,1]=4 61 B3R0.2 O=[Mo+6](O)O DB04494 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.2 OCl(=O)=O DB14150 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.3 O=C(CO)CO DB01775 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.4 C=CS(=O)(=O)O DB04359 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.5 C=C(N)C(=O)O DB02688 [1,1,0,0,0,0|0,0,0]=2 67 B5R0.5 C=C(N)C(N)=O DB02002 [1,1,0,0,0,0|1,0,0]=3 68 B5R0.5 CC(=O)C(N)=O DB03578 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,1,0,0,0,0|0,0,1]=3 72 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,0,1]=3 73 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|0,0,1]=3 74 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|0,0,1]=3 75 B5R0.5 NC(=O)C(=O)O DB03940 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.5 O=C(O)C(=O)O DB03902 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.2 O=CN(O)CC(=O)O DB02109 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|0,0,2]=4 80 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,2,0,0,0,0|0,0,0]=2 81 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|0,0,2]=4 82 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|0,0,2]=4 83 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|0,0,2]=4 84 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|0,0,2]=4 85 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|0,0,2]=4 86 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.9 CC(=O)OP(=O)(O)O DB02897 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,2,0,0,0,0|0,0,1]=3 90 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|0,0,1]=3 92 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|0,0,2]=4 93 B7R0.16 NC(C(=O)O)C(=O)O DB02289 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,2,0,0,0,0|0,0,2]=4 96 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,2,0,0,0,0|0,0,2]=4 98 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,2,0,0,0,0|0,0,2]=4 99 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [0,2,0,0,0,0|0,0,0]=2 100 B7R0.4 O=C(O)CCCCO DB04781 [0,2,0,0,0,0|0,0,2]=4 101 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,2,0,0,0,0|0,0,2]=4 102 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,2,0,0,0,0|0,0,1]=3 103 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,2,0,0,0,0|0,0,2]=4 104 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,2,0,0,0,0|0,0,1]=3 105 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|0,0,2]=4 106 B7R0.6 N=C(N)NCC(=O)O DB02751 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.6 O=C(O)\C=C/C(=O)O DB04299 [0,2,0,0,0,0|0,0,1]=3 108 B7R0.6 O=C(O)\C=C\C(=O)O DB01677 [0,2,0,0,0,0|0,0,1]=3 109 B7R0.8 N\C=C\OP(=O)(O)O DB02907 [0,2,0,0,0,0|2,0,0]=4 110 B5R1.1 C1=CNN=C1 DB02757 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 OC1=CC=CC=C1 DB03255 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|0,0,2]=4 113 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,1,0,1,0,0|0,0,2]=4