0 B5R0.1 C=C(Br)CCO DB04592 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CC(=O)CCO DB04094 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 CC(C)CCO DB02296 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.1 CC(O)CCO DB14110 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CCCC(=O)O DB03568 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CCCC(N)=O DB02121 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CCSC(=N)N DB02234 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CC[Se]C(=N)N DB02589 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 CN(C)CCO DB13352 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.1 C[C@H](O)CCO DB02202 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.1 C\C=C\C(=O)O DB02074 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 NCCC(=O)O DB03107 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 O=C(O)CCO DB03688 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 N=C(N)NO DB03770 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 NCC(N)=O DB03636 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,0,2]=3 32 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|0,0,2]=3 34 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.1 CCNC(=O)OC DB03919 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.1 CCOC(=O)NC DB02856 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.2 CC(=O)CC(=O)O DB01762 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|0,0,3]=4 39 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|0,0,2]=3 42 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.4 CCCOC(C)=O DB01670 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.5 C[N+](C)(C)CCS DB01803 [0,1,0,0,0,0|1,1,1]=4 48 B6R1.2 CC1=CN=CN1 DB03385 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,1,0,0|1,0,2]=4 50 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,1,0,0|3,0,0]=4 51 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|1,1,0]=4 52 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,1]=3 53 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,1]=4 54 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 55 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,1]=4 56 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,1]=4 57 B3R0.2 CC(N)=O DB02736 [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|2,0,0]=4 59 B3R0.2 NC(=O)O DB04261 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.3 O=C(CO)CO DB01775 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.3 OC[C@@H](O)CS DB03864 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.4 CC[Si](C)(C)C DB02265 [1,1,0,0,0,0|0,1,1]=4 63 B5R0.5 C=C(N)C(=O)O DB02688 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.5 CC(=O)C(N)=O DB03578 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|1,0,0]=3 67 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,0,1]=3 69 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.5 NC(=O)C(=O)O DB03940 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.5 O=C(O)C(=O)O DB03902 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|0,0,2]=4 75 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|0,0,2]=4 77 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.2 CC(C)NC(=N)NO DB02143 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [0,2,0,0,0,0|0,0,2]=4 80 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|0,0,2]=4 81 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|0,0,2]=4