0 B3R0.1 C#[N+]CC DB03399 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.1 C(N)=CS DB01968 [0,0,0,0,0,0|0,0,3]=3 2 B3R0.1 CCCO DB03175 [0,0,0,0,0,0|1,1,1]=3 3 B3R0.1 CCN=O DB02646 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.1 CCNC DB02396 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.1 CN=C=O DB12765 [0,0,0,0,0,0|2,1,1]=4 6 B3R0.1 ClCCCl DB03733 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.1 N=CCN DB02108 [0,0,0,0,0,0|1,0,2]=3 8 B3R0.1 NCCN DB14189 [0,0,0,0,0,0|1,0,2]=3 9 B3R0.1 NCCO DB03994 [0,0,0,0,0,0|0,1,2]=3 10 B3R0.1 NCCS DB00847 [0,0,0,0,0,0|0,0,2]=2 11 B3R0.1 O=BOO DB13235 [0,0,0,0,0,0|3,1,0]=4 12 B3R0.1 OCCS DB03345 [0,0,0,0,0,0|1,0,1]=2 13 B2R0.1 CCCl DB13259 [1,0,0,0,0,0|1,0,1]=3 14 B2R0.1 CCO DB00898 [1,0,0,0,0,0|0,1,1]=3 15 B2R0.1 CON DB06328 [1,0,0,0,0,0|1,0,1]=3 16 B2R0.1 Cl[223Ra]Cl DB08913 [1,0,0,0,0,0|3,0,0]=4 17 B2R0.1 Cl[Cu]Cl DB09131 [1,0,0,0,0,0|3,0,0]=4 18 B2R0.1 Cl[Hg]Cl DB13765 [1,0,0,0,0,0|3,0,0]=4 19 B2R0.1 F[Sn]F DB11092 [1,0,0,0,0,0|3,0,0]=4 20 B2R0.1 I[Hg]I DB04445 [1,0,0,0,0,0|3,0,0]=4 21 B2R0.1 N#CN DB02679 [1,0,0,0,0,0|1,0,0]=2 22 B2R0.1 N#[N+][O-] DB06690 [1,0,0,0,0,0|1,1,0]=3 23 B2R0.1 N=N/C DB04361 [1,0,0,0,0,0|1,0,1]=3 24 B2R0.1 O=C=O DB09157 [1,0,0,0,0,0|1,1,1]=4 25 B2R0.1 O=CO DB01942 [1,0,0,0,0,0|1,1,1]=4 26 B2R0.1 O=Cl[O-] DB05389 [1,0,0,0,0,0|2,1,0]=4 27 B2R0.1 O=NO DB09112 [1,0,0,0,0,0|2,1,0]=4 28 B2R0.1 O=N[O-] DB12529 [1,0,0,0,0,0|2,1,0]=4 29 B2R0.1 O=P[O-] DB04053 [1,0,0,0,0,0|2,1,0]=4 30 B2R0.1 O=[Cl]=O DB12453 [1,0,0,0,0,0|2,1,0]=4 31 B2R0.1 O=[O+][O-] DB12510 [1,0,0,0,0,0|2,1,0]=4 32 B2R0.1 O=[Si]=O DB11132 [1,0,0,0,0,0|1,2,0]=4 33 B2R0.1 O=[Si]=O DB13654 [1,0,0,0,0,0|1,2,0]=4 34 B2R0.1 O=[Si]=O DB14138 [1,0,0,0,0,0|1,2,0]=4 35 B2R0.1 O=[Ti]=O DB09536 [1,0,0,0,0,0|2,1,0]=4 36 B2R0.1 S=[Mo]=S DB05088 [1,0,0,0,0,0|2,0,1]=4 37 B2R0.1 S=[Se]=S DB00971 [1,0,0,0,0,0|2,0,1]=4 38 B2R0.1 [C-]#[N+]C DB04337 [1,0,0,0,0,0|2,0,0]=3 39 B2R0.1 [N-]=C=[N-] DB09116 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 C=C(Br)CO DB04320 [0,1,0,0,0,0|1,1,1]=4 41 B4R0.1 CC(O)CO DB01839 [0,1,0,0,0,0|1,1,1]=4 42 B4R0.1 CCC(=O)O DB03766 [0,1,0,0,0,0|2,0,1]=4 43 B4R0.1 CCC(N)=O DB04161 [0,1,0,0,0,0|1,0,2]=4 44 B4R0.1 CC[C@@H](C)O DB02606 [0,1,0,0,0,0|1,1,1]=4 45 B4R0.1 C[C@@H](Cl)CCl DB01701 [0,1,0,0,0,0|2,0,1]=4 46 B4R0.1 C[C@@H](O)CO DB02159 [0,1,0,0,0,0|1,1,1]=4 47 B4R0.1 C[C@H](O)C=O DB03776 [0,1,0,0,0,0|1,1,1]=4 48 B4R0.1 C[C@H](O)CBr DB03335 [0,1,0,0,0,0|1,1,1]=4 49 B4R0.1 C[C@H](O)CO DB04349 [0,1,0,0,0,0|1,1,1]=4 50 B4R0.1 C[C@H](O)C[NH3+] DB02576 [0,1,0,0,0,0|0,1,2]=4 51 B4R0.1 NCC(=O)O DB00145 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 NCC(=O)[O-] DB11189 [0,1,0,0,0,0|2,0,1]=4 53 B4R0.1 NCC(=O)[O-] DB11200 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.1 NCC(=O)[O-] DB11210 [0,1,0,0,0,0|2,0,1]=4 55 B4R0.1 NCC(N)=O DB03636 [0,1,0,0,0,0|1,0,2]=4 56 B4R0.1 O=C(O)CBr DB02198 [0,1,0,0,0,0|2,0,1]=4 57 B4R0.1 O=C(O)CO DB03085 [0,1,0,0,0,0|1,1,1]=4 58 B4R0.2 CCCCN DB03659 [0,1,0,0,0,0|1,0,2]=4 59 B4R0.2 CCCCO DB02145 [0,1,0,0,0,0|1,1,1]=4 60 B4R0.2 COCCO DB02806 [0,1,0,0,0,0|1,1,1]=4 61 B4R0.2 O=CCC=O DB03057 [0,1,0,0,0,0|1,1,1]=4 62 B4R0.2 OCCCO DB02774 [0,1,0,0,0,0|1,1,1]=4 63 B4R0.2 [C-]#[N+]CCC DB04050 [0,1,0,0,0,0|1,0,2]=4 64 B4R0.2 [S-]SSS[S-] DB02956 [0,1,0,0,0,0|3,0,0]=4 65 B4R1.2 CC1CO1 DB11451 [0,0,0,1,0,0|1,1,1]=4 66 B1R0.1 C=O DB03843 [2,0,0,0,0,0|0,1,1]=4 67 B1R0.1 CN DB01828 [2,0,0,0,0,0|0,0,1]=3 68 B1R0.1 ClCl DB11109 [2,0,0,0,0,0|2,0,0]=4 69 B1R0.1 Cl[Tl] DB09316 [2,0,0,0,0,0|2,0,0]=4 70 B1R0.1 II DB05382 [2,0,0,0,0,0|2,0,0]=4 71 B1R0.1 N#N DB09152 [2,0,0,0,0,0|1,0,0]=3 72 B1R0.1 O=O DB09140 [2,0,0,0,0,0|1,1,0]=4 73 B1R0.1 O=[Mg] DB01377 [2,0,0,0,0,0|1,1,0]=4 74 B1R0.1 O=[Zn] DB09321 [2,0,0,0,0,0|1,1,0]=4 75 B1R0.1 OCl DB14135 [2,0,0,0,0,0|1,1,0]=4 76 B1R0.1 OO DB11091 [2,0,0,0,0,0|1,1,0]=4 77 B1R0.1 O[SiH3] DB11343 [2,0,0,0,0,0|0,2,0]=4 78 B1R0.1 [C-]#[O+] DB11588 [2,0,0,0,0,0|0,1,1]=4 79 B1R0.1 [N]=O DB00435 [2,0,0,0,0,0|0,1,1]=4 80 B1R0.1 [O-]Cl DB11123 [2,0,0,0,0,0|1,1,0]=4 81 B3R0.2 BrC(Br)Br DB03054 [1,1,0,0,0,0|2,0,0]=4 82 B3R0.2 C(I)(I)I DB13813 [1,1,0,0,0,0|2,0,0]=4 83 B3R0.2 CC(=O)O DB03166 [1,1,0,0,0,0|1,0,1]=4 84 B3R0.2 CC(=O)[O-] DB00258 [1,1,0,0,0,0|1,0,1]=4 85 B3R0.2 CC(=O)[O-] DB09395 [1,1,0,0,0,0|1,0,1]=4 86 B3R0.2 CC(=O)[O-] DB09409 [1,1,0,0,0,0|1,0,1]=4 87 B3R0.2 CC(=O)[O-] DB13996 [1,1,0,0,0,0|1,0,1]=4 88 B3R0.2 CC(C)O DB02325 [1,1,0,0,0,0|0,1,1]=4 89 B3R0.2 CC(N)=O DB02736 [1,1,0,0,0,0|0,0,2]=4 90 B3R0.2 CS(C)=O DB01093 [1,1,0,0,0,0|2,0,0]=4 91 B3R0.2 C[P@@H](=O)[O-] DB02825 [1,1,0,0,0,0|2,0,0]=4 92 B3R0.2 C[P@H](=O)O DB02845 [1,1,0,0,0,0|2,0,0]=4 93 B3R0.2 O=[Mo](=O)S DB03328 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.1 CSCC(=O)[O-] DB03517 [0,2,0,0,0,0|1,0,1]=4 95 B5R0.1 CSC[S@](C)=O DB02311 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.3 OCC(S)CS DB06782 [0,2,0,0,0,0|1,0,1]=4 97 B5R0.3 OC[C@@H](O)CS DB03864 [0,2,0,0,0,0|1,0,1]=4 98 B5R0.4 CC(C)(O)C#N DB02203 [0,2,0,0,0,0|0,1,0]=3 99 B5R0.4 O=P([O-])([O-])CS DB03498 [0,2,0,0,0,0|2,0,0]=4 100 B3R1.1 C1CC1 DB13984 [1,0,0,1,0,0|1,0,1]=4