0 B4R0.2 CCCCN DB03659 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 CCCCO DB02145 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 COCCO DB02806 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 C\C=C\C=O DB04381 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 OCCCO DB02774 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 [C-]#[N+]CCC DB04050 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 [S-]SSS[S-] DB02956 [0,0,0,0,0,0|4,0,0]=4 7 B3R0.1 C#[N+]CC DB03399 [1,0,0,0,0,0|1,0,1]=3 8 B3R0.1 CCCO DB03175 [1,0,0,0,0,0|1,0,0]=2 9 B3R0.1 CCN=O DB02646 [1,0,0,0,0,0|2,0,0]=3 10 B3R0.1 CCNC DB02396 [1,0,0,0,0,0|1,0,0]=2 11 B3R0.1 CN=C=O DB12765 [1,0,0,0,0,0|2,0,1]=4 12 B3R0.1 ClCCCl DB03733 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.1 N=CCN DB02108 [1,0,0,0,0,0|2,0,1]=4 14 B3R0.1 NCCN DB14189 [1,0,0,0,0,0|2,0,0]=3 15 B3R0.1 NCCO DB03994 [1,0,0,0,0,0|2,0,0]=3 16 B3R0.1 NCCS DB00847 [1,0,0,0,0,0|2,0,0]=3 17 B3R0.1 OCCS DB03345 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CC(=O)CCO DB04094 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(C)CCO DB02296 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.1 CC(O)CCO DB14110 [0,1,0,0,0,0|2,0,0]=3 21 B5R0.1 CCCC(=O)O DB03568 [0,1,0,0,0,0|2,0,1]=4 22 B5R0.1 CCCC(N)=O DB02121 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.1 CCOC(N)=O DB04827 [0,1,0,0,0,0|1,1,1]=4 24 B5R0.1 CCSC(=N)N DB02234 [0,1,0,0,0,0|1,0,1]=3 25 B5R0.1 CC[Se]C(=N)N DB02589 [0,1,0,0,0,0|1,1,1]=4 26 B5R0.1 CN(C)CCO DB13352 [0,1,0,0,0,0|3,0,0]=4 27 B5R0.1 CSC[S@](C)=O DB02311 [0,1,0,0,0,0|3,0,0]=4 28 B5R0.1 C[C@H](O)CCO DB02202 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.2 CCCCC=O DB01919 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.2 CCCCCN DB02045 [0,1,0,0,0,0|1,0,0]=2 31 B5R0.2 CCOCCO DB02249 [0,1,0,0,0,0|0,1,0]=2 32 B5R0.2 COCCOC DB01749 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.2 NCCCCN DB01917 [0,1,0,0,0,0|2,0,0]=3 34 B5R0.2 OCCCCO DB01955 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.2 [C-]#[N+]CCCC DB01826 [0,1,0,0,0,0|1,0,1]=3 36 B5R0.2 [NH3+]CCCCO DB02541 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.3 O=C(CO)CO DB01775 [0,1,0,0,0,0|3,0,0]=4 38 B5R0.3 OCC(O)CO DB09462 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.3 OCC(S)CS DB06782 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.3 OC[C@@H](O)CS DB03864 [0,1,0,0,0,0|3,0,0]=4 41 B5R1.2 O=C1CCO1 DB09348 [0,0,0,1,0,0|1,1,1]=4 42 B5R1.3 ClCC1CO1 DB00658 [0,0,0,1,0,0|3,0,0]=4 43 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3 44 B2R0.1 CCO DB00898 [2,0,0,0,0,0|0,1,0]=3 45 B2R0.1 CON DB06328 [2,0,0,0,0,0|1,1,0]=4 46 B2R0.1 N=N/C DB04361 [2,0,0,0,0,0|2,0,0]=4 47 B2R0.1 [C-]#[N+]C DB04337 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 CC(O)CO DB01839 [1,1,0,0,0,0|1,0,0]=3 49 B4R0.1 CCC(=O)O DB03766 [1,1,0,0,0,0|1,0,1]=4 50 B4R0.1 CCC(N)=O DB04161 [1,1,0,0,0,0|1,0,1]=4 51 B4R0.1 CC[C@@H](C)O DB02606 [1,1,0,0,0,0|0,0,0]=2 52 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,1,0,0,0,0|1,0,0]=3 53 B4R0.1 C[C@@H](O)CO DB02159 [1,1,0,0,0,0|1,0,0]=3 54 B4R0.1 C[C@H](O)C=O DB03776 [1,1,0,0,0,0|1,0,1]=4 55 B4R0.1 C[C@H](O)CBr DB03335 [1,1,0,0,0,0|1,0,0]=3 56 B4R0.1 C[C@H](O)CO DB04349 [1,1,0,0,0,0|1,0,0]=3 57 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.1 CCNC(=O)OC DB03919 [0,2,0,0,0,0|1,0,1]=4 59 B6R0.1 CCOC(=O)NC DB02856 [0,2,0,0,0,0|0,1,1]=4 60 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.2 CC(C)SC(=N)N DB04018 [0,2,0,0,0,0|1,0,1]=4 62 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,2,0,0,0,0|2,0,0]=4 63 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,2,0,0,0,0|2,0,0]=4 64 B6R0.4 CCCCB(O)O DB02664 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.4 CCCCC(=O)O DB02406 [0,2,0,0,0,0|1,0,1]=4 66 B6R0.4 CCCOC(C)=O DB01670 [0,2,0,0,0,0|0,1,1]=4 67 B6R0.6 NCCCCCN DB03854 [0,2,0,0,0,0|1,0,0]=3 68 B4R1.2 CC1CO1 DB11451 [1,0,0,1,0,0|0,1,0]=3 69 B6R1.2 NC1=NCCS1 DB02335 [0,1,0,1,0,0|1,0,1]=4 70 B6R1.2 O=C1CCCO1 DB04699 [0,1,0,1,0,0|0,1,1]=4 71 B6R1.1 C1CCOCC1 DB02412 [0,1,0,1,0,0|0,1,0]=3 72 B6R1.1 C1CNCCN1 DB00592 [0,1,0,1,0,0|1,0,0]=3 73 B6R1.1 C1COCCO1 DB03316 [0,1,0,1,0,0|0,1,0]=3