0 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,0,0,0,0,0|2,1,1]=4 5 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,0,0,0,0,0|1,1,2]=4 6 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.17 [N-]=[N+]=NCC1=CN=CC=C1 CBR01635 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|0,1,1]=3 25 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [1,0,0,0,0,0|1,1,0]=3 34 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|1,1,1]=4 35 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|1,1,1]=4 36 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.1 N#CSCC1=CC=C(C=C1)Br L308307 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,1,0,0,0,0|1,1,1]=4 50 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,1,0,0,0,0|1,1,1]=4 51 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,1,0,0,0,0|1,1,1]=4 52 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,0,0,0,0|0,1,2]=4 54 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,1,0,0,0,0|2,1,0]=4 55 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,1,0,0,0,0|2,1,0]=4 65 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.24 CC1=CC(=CC=C1)CSC#N S411485 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.24 CC1=CC=CC(=C1)CN=[N+]=[N-] CDS015331 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,1,0,0,0,0|1,1,1]=4 77 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,1,0,0,0,0|1,1,1]=4 98 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,1,0,0,0,0|0,1,2]=4 99 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,1,0,0,0,0|1,1,1]=4 100 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,0|2,1,0]=4 105 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,0|2,1,0]=4 106 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,1,0,0,0,0|1,0,2]=4 109 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,1,0,0,0,0|1,0,2]=4 115 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,1,0,0,0,0|0,0,2]=3 117 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,1,0,0,0,0|2,1,0]=4 119 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|2,0,1]=4 120 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|2,0,1]=4 121 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|2,0,1]=4 122 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,1,0,0|2,0,1]=4 123 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,1,0,0|2,0,1]=4 124 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|2,0,1]=4 126 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|0,1,2]=4 127 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,0,1,0,0|1,0,2]=4 128 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,1,0,0|1,0,2]=4 129 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,1,0,0|1,0,2]=4 130 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|1,0,2]=4 131 B9R1.12 S=C=NCC1=CC=CO1 CDS003797 [0,0,0,0,1,0|1,0,0]=2 132 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,2]=4 134 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,2]=4 135 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,2]=4 136 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|0,0,1]=3 138 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|1,0,1]=4 139 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|0,2,0]=4 140 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|0,1,1]=4 142 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|0,0,2]=4 145 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,1,0,0,0,0|0,1,1]=4 151 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|0,1,1]=4 152 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,1,0,0,0,0|0,1,1]=4 153 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|0,0,2]=4 154 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|0,0,2]=4 157 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [1,1,0,0,0,0|0,1,1]=4 162 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|0,1,1]=4 163 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|0,1,1]=4 164 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [1,1,0,0,0,0|0,1,1]=4 169 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [1,1,0,0,0,0|0,1,1]=4 172 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,1,0,0,0,0|0,1,1]=4 173 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|0,1,1]=4 174 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,1,0,0,0,0|0,1,1]=4 175 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|0,0,2]=4 176 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|1,1,0]=4 179 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|0,0,2]=4 180 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|0,0,2]=4 181 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,1,0,0,0,0|0,1,1]=4 183 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|0,1,1]=4 184 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|0,0,2]=4 187 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|0,0,2]=4 188 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|0,1,1]=4 190 B12R1.16 C[C@@H](N=C=O)C1=CC=C(C=C1)F CDS019968 [0,2,0,0,0,0|0,1,0]=3 191 B12R1.16 C[C@H](N=C=O)C1=CC=C(C=C1)F CDS019969 [0,2,0,0,0,0|0,1,0]=3 192 B12R1.16 O=C(N=C=S)C1=CC=C(C=C1)Br PH000411 [0,2,0,0,0,0|0,0,1]=3 193 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [0,2,0,0,0,0|0,1,0]=3 194 B12R1.8 S=C=NCCCC1=CC=CC=C1 CDS020794 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,2,0,0,0,0|0,0,2]=4 196 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,2,0,0,0,0|0,0,2]=4 198 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,2,0,0,0,0|0,0,2]=4 199 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,2,0,0,0,0|0,0,2]=4 200 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,1,0,0|0,0,2]=4 201 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,1,0,0|0,1,1]=4 202 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|0,1,1]=4 203 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,1,0,1,0,0|1,0,1]=4 204 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,1,0,0|1,0,1]=4 205 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,1,0,1,0,0|0,0,2]=4 206 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|1,0,1]=4 207 B7R1.3 CC1=CC=NC=C1 T256412 [3,0,0,0,0,0|1,0,0]=4 208 B7R1.3 CC1=CC=NC=C1 T330418 [3,0,0,0,0,0|1,0,0]=4 209 B7R1.3 NC1=CC=CC=C1 S698326 [3,0,0,0,0,0|0,0,1]=4 210 B7R1.3 S=C1C=CSC=C1 S874310 [3,0,0,0,0,0|1,0,0]=4 211 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [3,0,0,0,0,0|0,1,0]=4 212 B7R1.3 [S-]C1=CC=CC=C1 S578991 [3,0,0,0,0,0|0,0,1]=4 213 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,1,0,0,0,0|0,0,1]=4 214 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,1,0,0,0,0|0,0,1]=4 215 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,1,0,0,0,0|0,0,1]=4 216 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [2,1,0,0,0,0|0,0,1]=4 217 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [2,1,0,0,0,0|0,0,1]=4 218 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [2,1,0,0,0,0|0,0,1]=4 219 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [2,1,0,0,0,0|0,0,1]=4 220 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,1,0,0,0,0|0,0,1]=4 221 B9R1.15 NCC1=CC=CC=C1Br T151114 [2,1,0,0,0,0|0,0,1]=4 222 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [1,2,0,0,0,0|0,0,1]=4 223 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [1,2,0,0,0,0|0,0,1]=4 224 B11R1.81 CC1=CC=C(C(=C1)C)N=C=S S645451 [1,2,0,0,0,0|0,0,0]=3 225 B11R1.13 CC1=C(C(=CC=C1)N=C=S)C TMT00526 [1,2,0,0,0,0|0,0,0]=3 226 B11R1.182 CC1=CC=C(C(=C1)N=C=S)C PH011073 [1,2,0,0,0,0|0,0,0]=3 227 B11R1.605 CC1=CC=CC(=C1N=C=S)Cl PH011374 [1,2,0,0,0,0|0,0,0]=3 228 B11R1.605 O=C=NC1=C(C=CC=C1F)Cl CDS013093 [1,2,0,0,0,0|0,1,0]=4 229 B13R1.29 CC1=CC=C(C=C1)S(=O)(=O)N=C=S PH009617 [0,3,0,0,0,0|1,0,0]=4 230 B13R1.452 COC1=CC=C(C=C1)[C@@H](C)N=C=O CDS019610 [0,3,0,0,0,0|0,1,0]=4 231 B13R1.337 NC(=S)N/N=C/CC1=CC=CC=C1 S536644 [0,3,0,0,0,0|0,0,1]=4