0 B5R0.2 CCCCC=O DB01919 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 CCCCCN DB02045 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.2 CCOCCO DB02249 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 COCCOC DB01749 [0,0,0,0,0,0|2,1,0]=3 4 B5R0.2 NCCCCN DB01917 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 OCCCCO DB01955 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 [C-]#[N+]CCCC DB01826 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 [NH3+]CCCCO DB02541 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|0,0,0]=1 9 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,1,0]=3 11 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|1,1,0]=3 12 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.1 OC[C@@H](O)CSO DB01684 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.4 CCCCB(O)O DB02664 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.4 CCCCC(=O)O DB02406 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.4 CCCOC(C)=O DB01670 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.4 NCCCC(=O)O DB02530 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.4 O=C([O-])CCCO DB01440 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.4 O=C([O-])CCCO DB09072 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.6 NCCCCCN DB03854 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.6 O=CCCCC=O DB03266 [0,1,0,0,0,0|3,0,0]=4 22 B6R1.1 C1CCOCC1 DB02412 [0,0,0,1,0,0|1,1,0]=3 23 B6R1.1 C1CNCCN1 DB00592 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.1 C1COCCO1 DB03316 [0,0,0,1,0,0|2,1,0]=4 25 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,1,0,0|3,0,0]=4 26 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 27 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|0,0,2]=4 28 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,1,0]=3 29 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,1,0]=4 30 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|1,0,1]=4 33 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|1,0,0]=3 34 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|0,1,0]=3 35 B3R0.1 NCCS DB00847 [2,0,0,0,0,0|0,0,0]=2 36 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|0,0,1]=3 42 B5R0.1 CCOC(N)=O DB04827 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.1 CCSC(=N)N DB02234 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.1 CC[Se]C(=N)N DB02589 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.1 CN(C)CCO DB13352 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.1 CSC[S@](C)=O DB02311 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|0,1,1]=4 50 B5R0.3 OCC(O)CO DB09462 [1,1,0,0,0,0|1,1,0]=4 51 B5R0.3 OCC(S)CS DB06782 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.3 OC[C@@H](O)CS DB03864 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.2 NC[C@@H](F)C[PH](=O)O DB11920 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.3 CCCCC(O)CO DB14108 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.8 NCCCS(=O)(=O)O DB06527 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.1 CCCCCON=O DB01612 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.1 NCCCCCCN DB03260 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.1 OCCCCCCBr DB04637 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.1 OCCCCCCO DB02210 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.1 OCCSSCCO DB02486 [0,2,0,0,0,0|2,0,0]=4 64 B5R1.3 ClCC1CO1 DB00658 [1,0,0,1,0,0|1,1,0]=4 65 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,1,0,1,0,0|1,0,0]=3 66 B7R1.3 NC1CCCCC1 DB04996 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.3 O=C1CCCCC1 DB02060 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.3 OC1CCCCC1 DB03703 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.4 CN1CCCC1=O DB12521 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|0,1,1]=4