0 B5R0.3 O=C(CO)CO DB01775 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 O=C[C@H](O)CO DB02536 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|2,0,0]=3 3 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|1,0,0]=2 4 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|1,0,0]=2 5 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|0,0,3]=4 8 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 NCC(N)=O DB03636 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 CCNC(=O)OC DB03919 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.1 CCOC(=O)NC DB02856 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.3 C=C(NC)C(=O)O DB03920 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|2,0,0]=3 25 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,1,0,0|1,0,1]=3 27 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 28 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|1,1,0]=4 29 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,2]=4 30 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,1]=4 32 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,0]=3 34 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|2,0,0]=4 35 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|2,0,0]=4 36 B3R0.2 NC(=O)O DB04261 [2,0,0,0,0,0|2,0,0]=4 37 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 C=C(Br)CCO DB04592 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|0,0,1]=3 40 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.1 CCSC(=N)N DB02234 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.1 CC[Se]C(=N)N DB02589 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.1 CSC[S@](C)=O DB02311 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.1 C\C=C\C(=O)O DB02074 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.1 NOCC(=O)O DB02079 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.4 C=CS(=O)(=O)O DB04359 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.5 C=C(N)C(=O)O DB02688 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.5 C=C(N)C(N)=O DB02002 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.5 CC(=O)C(N)=O DB03578 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|0,0,1]=3 58 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|0,0,1]=3 59 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.5 NC(=O)C(=O)O DB03940 [1,1,0,0,0,0|2,0,0]=4 64 B5R0.5 O=C(O)C(=O)O DB03902 [1,1,0,0,0,0|2,0,0]=4 65 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,2]=4 66 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|1,0,0]=3 69 B5R1.1 C1=CNN=C1 DB02757 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 O=C1CCCCC1 DB02060 [0,1,0,1,0,0|0,0,2]=4 71 B7R1.4 CC1=[NH+]C=CN1C DB03789 [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|1,0,1]=4