0 B2R0.1 BrCBr 2846774 [0,0,0,0,0,0|3,0,0]=3 1 B2R0.1 CC=O 3585877 [0,0,0,0,0,0|2,0,1]=3 2 B2R0.1 CCI 2830268 [0,0,0,0,0,0|3,0,0]=3 3 B2R0.1 CCN 6057187 [0,0,0,0,0,0|2,0,1]=3 4 B2R0.1 CNC 6057150 [0,0,0,0,0,0|2,0,1]=3 5 B2R0.1 CON 1270718 [0,0,0,0,0,0|2,0,1]=3 6 B2R0.1 Cl[Pd]Cl 22430432 [0,0,0,0,0,0|3,0,0]=3 7 B2R0.1 Cl[Sn]Cl 6057406 [0,0,0,0,0,0|3,0,0]=3 8 B2R0.1 N#CBr 2816883 [0,0,0,0,0,0|2,0,0]=2 9 B2R0.1 NCC 22430626 [0,0,0,0,0,0|2,0,1]=3 10 B2R0.1 S=C=S 2825307 [0,0,0,0,0,0|2,1,0]=3 11 B2R0.1 [BH3-]C#N 3585761 [0,0,0,0,0,0|2,0,0]=2 12 B1R0.1 Br[Ag] 22430508 [1,0,0,0,0,0|2,0,0]=3 13 B1R0.1 CI 2827702 [1,0,0,0,0,0|2,0,0]=3 14 B1R0.1 CN 3585770 [1,0,0,0,0,0|1,0,1]=3 15 B1R0.1 NO 6057170 [1,0,0,0,0,0|0,0,2]=3 16 B3R0.1 BrCCBr 2931541 [0,1,0,0,0,0|3,0,0]=4 17 B3R0.1 C#CCBr 22430369 [0,1,0,0,0,0|3,0,0]=4 18 B3R0.1 C#CCO 6057505 [0,1,0,0,0,0|2,0,1]=4 19 B3R0.1 C(=O)C=C 6057255 [0,1,0,0,0,0|2,0,1]=4 20 B3R0.1 C=CC#N 5753506 [0,1,0,0,0,0|2,0,0]=3 21 B3R0.1 C=CCBr 2826145 [0,1,0,0,0,0|3,0,0]=4 22 B3R0.1 C=CCCl 2825308 [0,1,0,0,0,0|3,0,0]=4 23 B3R0.1 C=CCN 3643807 [0,1,0,0,0,0|2,0,1]=4 24 B3R0.1 CCC#N 1519460 [0,1,0,0,0,0|2,0,0]=3 25 B3R0.1 CCC=O 2825243 [0,1,0,0,0,0|2,0,1]=4 26 B3R0.1 CCCBr 2826200 [0,1,0,0,0,0|3,0,0]=4 27 B3R0.1 CCCI 2843705 [0,1,0,0,0,0|3,0,0]=4 28 B3R0.1 CCCN 2825249 [0,1,0,0,0,0|2,0,1]=4 29 B3R0.1 CN=C=S 2825274 [0,1,0,0,0,0|1,1,1]=4 30 B3R0.1 CNOC 2825501 [0,1,0,0,0,0|1,0,2]=4 31 B3R0.1 COC=O 13507909 [0,1,0,0,0,0|2,0,1]=4 32 B3R0.1 CSSC 2816694 [0,1,0,0,0,0|2,1,0]=4 33 B3R0.1 ClCCBr 2819184 [0,1,0,0,0,0|3,0,0]=4 34 B3R0.1 FCCBr 22430481 [0,1,0,0,0,0|3,0,0]=4 35 B3R0.1 N#CCCl 2825299 [0,1,0,0,0,0|2,0,0]=3 36 B3R0.1 N#CCN 22430542 [0,1,0,0,0,0|2,0,0]=3 37 B3R0.1 NCCCl 2825973 [0,1,0,0,0,0|2,0,1]=4 38 B3R0.1 NCCN 3585805 [0,1,0,0,0,0|2,0,1]=4 39 B3R0.1 NCCO 3585939 [0,1,0,0,0,0|1,0,2]=4 40 B3R0.1 NCCS 2119122 [0,1,0,0,0,0|1,1,1]=4 41 B3R0.1 NCCS 22430522 [0,1,0,0,0,0|1,1,1]=4 42 B3R0.1 NNC=O 2825252 [0,1,0,0,0,0|0,0,3]=4 43 B3R0.1 N\C=N\O 6923389 [0,1,0,0,0,0|0,0,3]=4 44 B3R0.1 O=CC=O 2825242 [0,1,0,0,0,0|2,0,1]=4 45 B3R0.1 O=CCCl 2825311 [0,1,0,0,0,0|2,0,1]=4 46 B3R0.1 O=NO[Na] 6057364 [0,1,0,0,0,0|1,0,2]=4 47 B3R0.1 OCCBr 2826257 [0,1,0,0,0,0|2,0,1]=4 48 B3R0.1 OCCCl 2825315 [0,1,0,0,0,0|2,0,1]=4 49 B3R0.1 OCCF 22430618 [0,1,0,0,0,0|2,0,1]=4 50 B3R0.1 OCCS 2121589 [0,1,0,0,0,0|2,0,1]=4 51 B3R0.2 CC(=N)N 2825466 [0,1,0,0,0,0|2,0,1]=4 52 B3R0.2 CC(=N)S 22430621 [0,1,0,0,0,0|1,1,1]=4 53 B3R0.2 CC(=O)O 22430651 [0,1,0,0,0,0|2,0,1]=4 54 B3R0.2 CC(=O)O 2825250 [0,1,0,0,0,0|2,0,1]=4 55 B3R0.2 CC(=O)O 2825650 [0,1,0,0,0,0|2,0,1]=4 56 B3R0.2 CC(=O)S 6057532 [0,1,0,0,0,0|2,0,1]=4 57 B3R0.2 CC(=O)[O-] 22430506 [0,1,0,0,0,0|2,0,0]=3 58 B3R0.2 CC(C)Br 2826201 [0,1,0,0,0,0|3,0,0]=4 59 B3R0.2 CC(C)Cl 8563287 [0,1,0,0,0,0|3,0,0]=4 60 B3R0.2 CC(C)I 2843704 [0,1,0,0,0,0|3,0,0]=4 61 B3R0.2 CC(C)N 22430489 [0,1,0,0,0,0|2,0,1]=4 62 B3R0.2 CC(C)N 2825248 [0,1,0,0,0,0|2,0,1]=4 63 B3R0.2 CC(C)S 2816601 [0,1,0,0,0,0|2,1,0]=4 64 B3R0.2 CC(N)=O 2825246 [0,1,0,0,0,0|1,0,2]=4 65 B3R0.2 CC(N)=S 2043866 [0,1,0,0,0,0|1,1,1]=4 66 B3R0.2 CN(C)N 1778527 [0,1,0,0,0,0|1,0,2]=4 67 B3R0.2 C[N+](=O)[O-] 6057031 [0,1,0,0,0,0|1,0,1]=3 68 B3R0.2 C[S+](C)C 22430468 [0,1,0,0,0,0|3,0,0]=4 69 B3R0.2 N=C(N)N 22430389 [0,1,0,0,0,0|2,0,1]=4 70 B3R0.2 N=C(N)N 2826164 [0,1,0,0,0,0|2,0,1]=4 71 B3R0.2 N=C([NH3+])[NH3+] 22430381 [0,1,0,0,0,0|2,0,1]=4 72 B3R0.2 NC(N)=S 2825306 [0,1,0,0,0,0|1,1,1]=4 73 B3R0.2 O=[N+]([O-])O 22430585 [0,1,0,0,0,0|1,0,1]=3 74 B0R0.1 B 22430413 [2,0,0,0,0,0|0,0,0]=2 75 B0R0.1 O 22430398 [2,0,0,0,0,0|0,0,0]=2 76 B0R0.1 [NH4+] 22430390 [2,0,0,0,0,0|0,0,0]=2 77 B4R0.1 C=C(C)C#N 8420357 [0,2,0,0,0,0|2,0,0]=4 78 B4R0.1 C=C(Cl)C#N 2816654 [0,2,0,0,0,0|2,0,0]=4 79 B4R0.1 CC(C)C#N 1519459 [0,2,0,0,0,0|2,0,0]=4 80 B4R0.1 CC[N+](=O)[O-] 2825295 [0,2,0,0,0,0|1,0,1]=4 81 B4R0.1 CN(C)C#N 22430679 [0,2,0,0,0,0|1,0,1]=4 82 B4R0.1 O=C([O-])CS 6057377 [0,2,0,0,0,0|2,0,0]=4 83 B4R0.2 C=CCC#N 1519454 [0,2,0,0,0,0|2,0,0]=4 84 B4R0.2 CCCC#N 1519455 [0,2,0,0,0,0|2,0,0]=4 85 B4R0.2 CSCC#N 2120662 [0,2,0,0,0,0|1,1,0]=4 86 B4R0.2 C\C=C\C#N 22430519 [0,2,0,0,0,0|2,0,0]=4 87 B4R0.2 N#CCC#N 3585913 [0,2,0,0,0,0|2,0,0]=4 88 B4R0.2 N#CCCCl 2825416 [0,2,0,0,0,0|2,0,0]=4 89 B4R0.2 N#CCON 9080699 [0,2,0,0,0,0|1,0,1]=4 90 B4R0.2 SCCC#N 2121354 [0,2,0,0,0,0|1,1,0]=4 91 B4R0.3 O=S(=O)([O-])O 22430383 [0,2,0,0,0,0|2,0,0]=4