0 B6R0.4 CCCCB(O)O DB02664 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 CCCCC(=O)O DB02406 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.4 CCCOC(C)=O DB01670 [0,0,0,0,0,0|0,1,0]=1 3 B5R0.1 C=C(Br)CCO DB04592 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CC(=O)CCO DB04094 [1,0,0,0,0,0|1,0,0]=2 5 B5R0.1 CC(C)CCO DB02296 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CC(O)CCO DB14110 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CCCC(=O)O DB03568 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.1 CCCC(N)=O DB02121 [1,0,0,0,0,0|1,0,0]=2 9 B5R0.1 CCSC(=N)N DB02234 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CC[Se]C(=N)N DB02589 [1,0,0,0,0,0|2,1,0]=4 11 B5R0.1 CN(C)CCO DB13352 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CSCC(=O)[O-] DB03517 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CSC[S@](C)=O DB02311 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 C[C@H](O)CCO DB02202 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 NCCC(=O)O DB03107 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 NOCC(=O)O DB02079 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 O=C(O)CCO DB03688 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 CCCCC=O DB01919 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.2 CCCCCN DB02045 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 CCOCCO DB02249 [1,0,0,0,0,0|1,1,1]=4 24 B5R0.2 COCCOC DB01749 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.2 [C-]#[N+]CCCC DB01826 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.3 CCCCC(O)CO DB14108 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.4 NC(=[NH2+])NCCCO DB03637 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.4 O=C(O)CCCCO DB04781 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.4 O=P(=O)OCCC[O-] DB04755 [0,1,0,0,0,0|2,1,0]=4 32 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.6 CC(C)CCC(=O)O DB03993 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.8 CCCCP(=O)(O)O DB03999 [0,1,0,0,0,0|3,0,0]=4 43 B7R1.3 O=C1CCCCC1 DB02060 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.3 OC1CCCCC1 DB03703 [0,0,0,1,0,0|1,0,2]=4 45 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,0,0,1,0,0|2,0,1]=4 46 B4R0.1 CC(=O)C=O DB03587 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 CC(=O)O[Hg+] DB02176 [2,0,0,0,0,0|1,1,0]=4 48 B4R0.1 CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.1 CC[C@@H](C)O DB02606 [2,0,0,0,0,0|0,0,2]=4 50 B4R0.1 NCC(N)=O DB03636 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 O=C(O)CBr DB02198 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.2 CCCCN DB03659 [2,0,0,0,0,0|1,0,1]=4 53 B4R0.2 CCCCO DB02145 [2,0,0,0,0,0|0,0,2]=4 54 B4R0.2 COCCO DB02806 [2,0,0,0,0,0|1,1,0]=4 55 B4R0.2 C\C=C\C=O DB04381 [2,0,0,0,0,0|0,0,2]=4 56 B4R0.2 O=CCC=O DB03057 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.2 [C-]#[N+]CCC DB04050 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.1 CCNC(=O)OC DB03919 [1,1,0,0,0,0|1,0,0]=3 59 B6R0.1 CCOC(=O)NC DB02856 [1,1,0,0,0,0|0,1,0]=3 60 B6R0.2 CC(=O)CC(=O)O DB01762 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.2 CC(C)CC(=O)O DB03750 [1,1,0,0,0,0|1,0,0]=3 62 B6R0.2 CC(C)C[C@@H](C)N DB02107 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.2 CC(C)SC(=N)N DB04018 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.2 CN(C)CC(=O)O DB02083 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.3 CCC(=O)C(=O)O DB04553 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.3 N[C@H](CO)C(=O)O DB03929 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.3 N[C@H](CS)C(=O)O DB03201 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.6 O=CCCCC=O DB03266 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O DB01739 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.23 CC(C)CC(=O)C(=O)O DB03229 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.23 CC(C)C[C@@H](N)C(=O)O DB01746 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.8 CCCC[C@@H](N)C(=O)O DB04419 [0,2,0,0,0,0|2,0,0]=4 79 B8R0.8 CSCCC(=O)C(=O)O DB02238 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.8 CSCCC(N)C(=O)O DB13972 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.8 CSCC[C@@H](N)C(=O)O DB02893 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.8 N[C@@H](CCCO)C(=O)O DB03105 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.9 [C@@H](N)(CC)CCC(=O)O DB04235 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.7 CCCCCCC(=O)O DB02938 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.7 CCCCCCC(N)=O DB02641 [0,2,0,0,0,0|2,0,0]=4 86 B6R1.2 NC1=NCCS1 DB02335 [1,0,0,1,0,0|2,0,0]=4 87 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|0,1,0]=3 88 B6R1.1 C1CCOCC1 DB02412 [1,0,0,1,0,0|0,1,1]=4 89 B8R1.4 C[C@H]1CC=CC(=O)O1 DB14121 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.40 [C@@H](C)(C=O)CC1CC1 DB03736 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.2 O=CN1CCCCC1 DB04113 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,1,0,1,0,0|1,1,0]=4 94 B8R1.7 O=C([O-])C1=[NH+]CCC1 DB02838 [0,1,0,1,0,0|2,0,0]=4