0 B5R0.2 CCCCC=O DB01919 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.2 CCCCCN DB02045 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 COCCOC DB01749 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 NCCCCN DB01917 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 OCCCCO DB01955 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.2 [C-]#[N+]CCCC DB01826 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 [NH3+]CCCCO DB02541 [0,0,0,0,0,0|1,0,3]=4 7 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,0,3]=4 9 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|0,0,2]=3 11 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CCCCC(=O)O DB02406 [0,1,0,0,0,0|0,0,2]=3 15 B6R0.4 CCCOC(C)=O DB01670 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.6 O=CCCCC=O DB03266 [0,1,0,0,0,0|0,0,1]=2 17 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,1,0,0|1,0,1]=3 19 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 20 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|1,1,0]=4 21 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,2]=4 22 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,0]=3 23 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,1]=4 24 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 25 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 26 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 27 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,1]=4 28 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.1 C=C(Br)CCO DB04592 [1,1,0,0,0,0|0,0,1]=3 30 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|1,0,0]=3 31 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|0,0,1]=3 32 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|0,0,1]=3 33 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.1 C\C=C\C(=O)O DB02074 [1,1,0,0,0,0|0,0,2]=4 37 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.1 NOCC(=O)O DB02079 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|1,0,0]=3 41 B7R0.2 O=CN(O)CC(=O)O DB02109 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,2,0,0,0,0|0,0,2]=4 44 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|0,0,2]=4 45 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|1,0,1]=4 46 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.4 O=C(O)CCCCO DB04781 [0,2,0,0,0,0|0,0,2]=4 55 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,2,0,0,0,0|0,0,2]=4 56 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,2,0,0,0,0|0,0,1]=3 57 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,2,0,0,0,0|0,0,1]=3 58 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|0,0,2]=4 60 B7R0.6 N=C(N)NCC(=O)O DB02751 [0,2,0,0,0,0|2,0,0]=4 61 B5R1.1 C1=CNC=N1 DB03366 [1,0,0,1,0,0|2,0,0]=4 62 B5R1.1 C1=CNN=C1 DB02757 [1,0,0,1,0,0|2,0,0]=4 63 B5R1.1 C1=C[N-]C=N1 DB03840 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.3 O=C1CCCCC1 DB02060 [0,1,0,1,0,0|0,0,2]=4 65 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|1,0,1]=4