0 B11R1.12 C(=O)C(C=O)C1=CC=NC=C1 L307416 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,0,0,0,0,0|1,0,3]=4 4 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,0,0,0,0,0|1,0,3]=4 5 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.12 N#C/C(=C\O)/C1=CC=CC=C1 PH010982 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.12 O/C=C(\C=O)/C1=CC=NC=N1 TMT00404 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [0,1,0,0,0,0|0,0,3]=4 35 B12R1.3 O/N=C(\C=N\O)/C1=CC=CC=C1 L314382 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.12 CC/C(=N\O)/C1=CC=C(C=C1)Cl PH007820 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.243 CC/C(=N\O)/C1=C(C=CC=C1)O PH004373 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.243 CCN(N=O)C1=CC=CC=C1C PH007144 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [0,1,0,0,0,0|1,0,2]=4 41 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,1,0,0,0,0|0,0,2]=3 42 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [0,1,0,0,0,0|0,0,2]=3 43 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [0,1,0,0,0,0|0,0,2]=3 44 B12R1.478 CCN(C(=O)Cl)C1=CC=CC=C1 PH010143 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.478 CCN(C(=S)N)C1=CC=CC=C1 PH009721 [0,1,0,0,0,0|1,1,1]=4 46 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.478 CNC(C(=O)O)C1=CC=CN=C1 PH018220 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,1,0,0,0,0|1,0,1]=3 49 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,1,0,0,0,0|1,0,1]=3 52 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [0,0,0,1,0,0|1,1,1]=4 53 B12R2.1 C(=O)C1=C2N=CC=CN2N=C1 CBR00008 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [0,0,0,1,0,0|1,1,1]=4 55 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,0,0,1,0,0|2,0,1]=4 58 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,0,0,1,0,0|1,1,1]=4 59 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,0,0,1,0,0|1,0,2]=4 60 B12R2.2 C1=CC=C(C=C1)C2=CC=NO2 JRD0097 [0,0,0,1,0,0|2,0,1]=4 61 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,0,0,1,0,0|1,0,1]=3 62 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [0,0,0,1,0,0|2,0,1]=4 63 B12R2.2 C1=CC=C(C=C1)C2=CNN=N2 CDS020603 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.2 C1=CC=C(C=C1)C2=CSN=N2 S541524 [0,0,0,1,0,0|2,1,0]=4 65 B12R2.2 C1=CC=C(C=C1)C2=C[Se]N=N2 R586781 [0,0,0,1,0,0|2,1,0]=4 66 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [0,0,0,1,0,0|1,0,2]=4 67 B12R1.118 C/N=C(\NC1=CC=CC=C1)/SC S630055 [0,0,0,0,0,1|3,0,0]=4 68 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [2,0,0,0,0,0|0,1,1]=4 69 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [2,0,0,0,0,0|1,0,1]=4 71 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [2,0,0,0,0,0|1,0,1]=4 78 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [2,0,0,0,0,0|1,0,0]=3 80 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,1,0,0,0,0|0,0,1]=3 84 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [1,1,0,0,0,0|0,0,1]=3 85 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [1,1,0,0,0,0|0,0,2]=4 87 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [1,1,0,0,0,0|0,0,1]=3 89 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [1,1,0,0,0,0|0,0,1]=3 92 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [1,1,0,0,0,0|0,0,2]=4 96 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,1,0,0,0,0|0,0,1]=3 105 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,1]=4 122 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [1,1,0,0,0,0|0,0,1]=3 124 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [1,1,0,0,0,0|0,0,1]=3 125 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,1,0,0,0,0|0,0,1]=3 126 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [1,1,0,0,0,0|0,0,1]=3 147 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,1,0,0,0,0|0,0,1]=3 148 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,1,0,0,0,0|0,0,1]=3 151 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [1,1,0,0,0,0|1,1,0]=4 165 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [1,1,0,0,0,0|2,0,0]=4 175 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [0,1,0,0,0,1|0,0,1]=3 176 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,1,0,0,0,1|0,0,2]=4 177 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O PH010776 [0,1,0,0,0,1|0,0,2]=4 178 B13R1.418 N#C/C(=C/C1=CC=CC=C1)/C(=O)N S929662 [0,1,0,0,0,1|1,0,1]=4 179 B13R1.418 O=C(O)/C(=C/C1=CC=CC=C1)/CBr S808709 [0,1,0,0,0,1|1,0,1]=4 180 B13R1.405 C=CCC(C(=O)C)C1=CC=CC=C1 S38882 [0,2,0,0,0,0|0,0,2]=4 181 B13R1.405 C=CCN(C(=O)C)C1=CC=CC=C1 PH007238 [0,2,0,0,0,0|1,0,1]=4 182 B13R1.405 CCCC(C(=O)C)C1=CC=CC=C1 PH001357 [0,2,0,0,0,0|0,0,2]=4 183 B13R1.405 CCCC(C(=O)O)C1=CC=CC=C1 CDS010822 [0,2,0,0,0,0|0,0,2]=4 184 B13R1.532 CCC(=O)C(CC)C1=CC=CC=C1 S354570 [0,2,0,0,0,0|0,0,2]=4 185 B13R1.532 CCN(C(=O)CCl)C1=CC=CC=C1 S278955 [0,2,0,0,0,0|1,0,1]=4 186 B13R1.532 COC(=O)C(OC)C1=CC=CC=C1 PH002076 [0,2,0,0,0,0|1,0,1]=4 187 B13R1.532 COC(=O)[C@@H](OC)C1=CC=CC=C1 PH001769 [0,2,0,0,0,0|1,0,1]=4 188 B13R1.713 C=CC(OC(=O)C)C1=CC=CC=C1 S877182 [0,2,0,0,0,0|0,0,2]=4 189 B13R1.713 CCN(NC(=O)C)C1=CC=CC=C1 PH007155 [0,2,0,0,0,0|1,0,1]=4 190 B13R1.713 CN(C)/C=C(\C#N)/C1=CC=CC=C1 L166871 [0,2,0,0,0,0|1,0,1]=4 191 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 PH015123 [0,2,0,0,0,0|1,0,1]=4 192 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)Br CDS016280 [0,2,0,0,0,0|0,0,2]=4 193 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)C PH018590 [0,2,0,0,0,0|1,0,1]=4 194 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)Cl PH018559 [0,2,0,0,0,0|1,0,1]=4 195 B13R1.716 COC(C(=O)O)C1=CC(=CC=C1)F PH018591 [0,2,0,0,0,0|1,0,1]=4 196 B13R1.716 COC(C(=O)O)C1=CC=CC(=C1)C PH014847 [0,2,0,0,0,0|1,0,1]=4 197 B13R1.716 COC(C(=O)O)C1=CC=CC(=C1)Cl PH018558 [0,2,0,0,0,0|1,0,1]=4 198 B13R1.720 CCC(C(=O)O)C1=CC=CC=C1C S381497 [0,2,0,0,0,0|0,0,2]=4 199 B13R1.720 CCN(C(=O)N)C1=C(C=CC=C1)C S775290 [0,2,0,0,0,0|1,0,1]=4 200 B13R1.720 COC(C(=O)O)C1=CC=CC=C1C PH018842 [0,2,0,0,0,0|1,0,1]=4 201 B13R1.720 COC(C(=O)O)C1=CC=CC=C1Cl PH018649 [0,2,0,0,0,0|1,0,1]=4 202 B13R1.720 COC(C(=O)O)C1=CC=CC=C1F PH018841 [0,2,0,0,0,0|1,0,1]=4 203 B13R1.3085 CCC(C)(C(=O)O)C1=CC=CC=C1 S495018 [0,2,0,0,0,0|0,0,2]=4 204 B13R1.3085 CCC(C)(C(=O)O)C1=CC=CC=C1 S497207 [0,2,0,0,0,0|0,0,2]=4 205 B13R1.3085 CC[C@](N)(C(=O)O)C1=CC=CC=C1 PH000156 [0,2,0,0,0,0|0,0,2]=4 206 B13R1.3085 COC(C)(C(=O)C)C1=CC=CC=C1 S324132 [0,2,0,0,0,0|1,0,1]=4 207 B13R1.1111 CC(C)C(C(=O)O)C1=CC=CC=C1 S876232 [0,2,0,0,0,0|0,0,2]=4 208 B13R1.1111 CC(C)C(C(=O)[O-])C1=CC=CC=C1 S400300 [0,2,0,0,0,0|0,0,2]=4 209 B13R1.1111 NC(=O)C(C(=O)N)C1=CC=CC=C1 PH011709 [0,2,0,0,0,0|1,0,1]=4 210 B11R1.84 C(=O)C(=CC1=CC=CS1)C=O L307459 [0,0,1,1,0,0|2,0,0]=4 211 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,1,0,0|1,0,1]=4 212 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [1,0,0,1,0,0|2,0,0]=4 213 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,0,0,1,0,0|2,0,0]=4 214 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,1,0,0|1,0,1]=4 215 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [1,0,0,1,0,0|1,1,0]=4 216 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,1,0,0|1,0,0]=3 217 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,1,0,0|2,0,0]=4 218 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,1,0,0|1,1,0]=4 219 B13R2.45 C(=O)C1=C(C2=C(O1)C=CC=C2)C L169501 [0,0,0,1,0,1|0,0,0]=2 220 B13R2.45 CN1C(=NC2=C1C=CC=C2)C=O PH010767 [0,0,0,1,0,1|1,0,0]=3 221 B13R2.45 CN1C2=CC=NC=C2N=C1C=O PH017414 [0,0,0,1,0,1|2,0,0]=4 222 B13R2.45 CN1C2=CC=NC=C2N=C1C=O PH019013 [0,0,0,1,0,1|2,0,0]=4 223 B13R2.45 N/C=C/1\CC2=C(C1=O)C=CC=C2 PH000641 [0,0,0,1,0,1|1,0,0]=3 224 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,0,0,1,0,1|1,0,1]=4 225 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,0,0,1,0,1|2,0,0]=4 226 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,0,0,1,0,1|1,0,1]=4 227 B13R2.57 O=CC1=CC2=C(C=CC=N2)N=C1 ADE000863 [0,0,0,1,0,1|2,0,0]=4 228 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,0,0,1,0,1|1,0,1]=4 229 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [0,0,0,1,0,1|1,0,0]=3 230 B13R2.57 O=CC1=NN=C2C=CC=CC2=C1 PH017680 [0,0,0,1,0,1|2,0,0]=4 231 B13R2.64 C1=CC=C(C=C1)SC2=COCC2 T251194 [0,0,0,1,0,1|0,0,2]=4 232 B13R2.64 C1=CC=C(C=C1)[Se]C2=CCCO2 T292648 [0,0,0,1,0,1|2,0,0]=4 233 B13R2.1 CN=CC1=CNC2=C1C=CC=C2 PH003895 [0,1,0,1,0,0|1,0,0]=3 234 B13R2.1 NCCC1=CNC2=C1C=CC=C2 R162698 [0,1,0,1,0,0|1,0,1]=4 235 B13R2.1 ON=CC1=CNC2=C1C=CC=C2 PH008937 [0,1,0,1,0,0|1,0,1]=4 236 B13R2.3 C1=CC=C(C=C1)C2=CCNCC2 CDS005086 [0,1,0,1,0,0|1,0,1]=4 237 B13R2.10 CC1=CC(=NO1)C2=CC=CC=C2 PH004014 [0,1,0,1,0,0|1,0,1]=4 238 B13R2.10 CC1=NC(=CN1)C2=CC=CC=C2 CBR02038 [0,1,0,1,0,0|1,0,0]=3 239 B13R2.10 CC1=NC(=CS1)C2=CC=CC=N2 BOG00073 [0,1,0,1,0,0|1,1,0]=4 240 B13R2.10 CC1=NC(=CS1)C2=CC=CN=C2 BOG00266 [0,1,0,1,0,0|1,1,0]=4 241 B13R2.10 CC1=NC(=CS1)C2=CC=CN=C2 T310085 [0,1,0,1,0,0|1,1,0]=4 242 B13R2.10 CC1=NC(=CS1)C2=CC=NC=C2 BOG00027 [0,1,0,1,0,0|1,1,0]=4 243 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 CDS000772 [0,1,0,1,0,0|1,0,1]=4 244 B13R2.10 CC1=NC=C(O1)C2=CC=CC=C2 PH010637 [0,1,0,1,0,0|1,0,0]=3 245 B13R2.10 CC1=NNC(=C1)C2=CC=CC=C2 L496162 [0,1,0,1,0,0|2,0,0]=4 246 B13R2.10 N1N=C(CC1=O)C2=CC=CC=C2 S944661 [0,1,0,1,0,0|2,0,0]=4 247 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 L133558 [0,1,0,1,0,0|1,1,0]=4 248 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 OTV000831 [0,1,0,1,0,0|1,1,0]=4 249 B13R2.10 O=C1C=C(SS1)C2=CC=CC=C2 S409766 [0,1,0,1,0,0|2,0,0]=4 250 B13R2.10 O=C1C=CN(C1)C2=CC=CC=C2 R464171 [0,1,0,1,0,0|1,0,1]=4 251 B13R2.10 O=C1C=CN(N1)C2=CC=CC=C2 T310557 [0,1,0,1,0,0|1,0,1]=4 252 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S301604 [0,1,0,1,0,0|1,0,0]=3 253 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S554243 [0,1,0,1,0,0|1,0,0]=3 254 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,1,0,1,0,0|1,0,1]=4 255 B13R2.10 O=C1NN=C(O1)C2=CC=CC=C2 S392367 [0,1,0,1,0,0|2,0,0]=4 256 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 CDS000781 [0,1,0,1,0,0|1,0,0]=3 257 B13R2.15 NC1=C(C=NO1)C2=CC=CC=C2 JRD0169 [0,1,0,1,0,0|1,0,1]=4 258 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,1,0,1,0,0|0,0,2]=4 259 B13R2.373 O=C1C=C(C1=O)C2=CC=CC=C2 L160377 [0,1,0,1,0,0|0,0,1]=3 260 B13R2.1613 COC1=C2C=CC=CC2=CC=N1 T170887 [0,1,0,1,0,0|2,0,0]=4 261 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 CDS000968 [0,1,0,1,0,0|1,0,1]=4 262 B13R2.2931 CN1C=C(C2=C1C=CC=C2)C#N CBR01489 [0,1,0,1,0,0|1,0,1]=4 263 B13R2.2931 N/N=C/1\CC(=O)C2=C1C=CC=C2 R956031 [0,1,0,1,0,0|2,0,0]=4 264 B13R2.12 BrC1=CC=C(C=C1)C2=CNN=C2 JRD1036 [0,1,0,1,0,0|2,0,0]=4 265 B13R2.12 CC1=CC=C(C=C1)C2=CNN=C2 JRD1035 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.12 FC1=CC=C(C=C1)C2=CNN=C2 JRD1037 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.662 O=CC1=CNC2=C1C=CC(=C2)Cl CDS022285 [0,1,0,1,0,0|1,0,0]=3 268 B13R2.13 BrC1=CC=CC(=C1)C2=CCCC2 CDS024097 [0,1,0,1,0,0|1,0,1]=4 269 B13R2.2136 CC1=CN=C2NC=C(C2=C1)C=O ADE001022 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.2136 O=CC1=CNC2=NC=C(C=C12)F ADE001019 [0,1,0,1,0,0|2,0,0]=4 271 B13R2.18 SC1=CC=CC=C1C2=CCCN2 L163147 [0,1,0,1,0,0|2,0,0]=4 272 B13R2.135 CC1=C(C2=C(N1)N=CC=C2)C=O CDS023582 [0,1,0,1,0,0|1,0,0]=3 273 B13R2.135 CC1=C(C2=CC=CC=C2O1)C#N T327042 [0,1,0,1,0,0|1,0,1]=4 274 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [0,1,0,1,0,0|0,0,0]=2 275 B13R2.135 N1C(=O)/C(=N\O)/C2=C1C=CC=C2 T308250 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.2091 CC1=CC=CC2=C1C(=CN2)C=O SYX00293 [0,1,0,1,0,0|1,0,0]=3 277 B13R2.72 CC(=O)C1=NNC2=CC=CC=C12 CDS005905 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.72 NC(=O)N1CCC2=CC=CC=C12 T325570 [0,1,0,1,0,0|1,0,1]=4 279 B13R2.72 NC(=S)C1=CNC2=C1C=CC=C2 BOG00002 [0,1,0,1,0,0|1,1,0]=4 280 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 CDS016073 [0,1,0,1,0,0|2,0,0]=4 281 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 MNO000013 [0,1,0,1,0,0|0,0,0]=2 282 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 PH006834 [0,1,0,1,0,0|1,0,0]=3 283 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 BBO000747 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 CDS009986 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.72 O=C(O)C1CCC2=CC=CC=C12 CDS014135 [0,1,0,1,0,0|0,0,2]=4 286 B13R2.72 O=C(O)C1NCC2=CC=CC=C12 CDS008978 [0,1,0,1,0,0|1,0,1]=4 287 B13R2.439 NC(=O)C1(CC1)C2=CC=CC=C2 PH000225 [0,1,0,1,0,0|0,0,2]=4 288 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [1,0,0,0,1,0|1,0,1]=4 289 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [1,0,0,0,1,0|1,0,1]=4 290 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [1,0,0,0,0,1|0,0,1]=3 291 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,0,0,0,0,1|0,0,1]=3 292 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,0,0,0,0,1|1,1,0]=4 293 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,0,0,0,0,1|1,0,1]=4 294 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [1,0,0,0,0,1|1,0,1]=4 295 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,0,0,0,0,1|2,0,0]=4 296 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [1,0,0,0,0,1|2,0,0]=4 297 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [1,0,0,0,0,1|2,0,0]=4 298 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,0,0,0,0,1|1,0,0]=3 299 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [1,0,0,0,0,1|2,0,0]=4 300 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [1,0,0,0,0,1|2,0,0]=4 301 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [1,0,0,0,0,1|1,1,0]=4 302 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [1,0,0,0,0,1|1,0,1]=4 303 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,0,0,0,0,1|2,0,0]=4 304 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [1,0,0,0,0,1|1,0,1]=4 305 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [1,0,0,0,0,1|2,0,0]=4 306 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,0,0,0,0,1|2,0,0]=4 307 B11R1.852 COC(=O)N1C=CC=CC=C1 T168505 [1,0,0,0,0,1|2,0,0]=4