0 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,0,0,0,0,0|1,0,1]=2 7 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.32 CCNC(=S)NC1=CC=CC=C1 S599166 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,0,0,0,0,0|1,0,2]=4 47 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [1,0,0,0,0,0|3,0,0]=4 50 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)Cl ASX00033 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Br S628255 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C S644285 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S279846 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S591521 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.19 CCNC(=O)OC1=CC=C(C=C1)C S690589 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)Br TMT00107 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)C S553816 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)F TMT00076 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl S668745 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PH009742 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O PH011119 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)C S646628 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Br S711098 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Cl S623717 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.20 CCNC(=S)NC1=CC(=CC=C1)C S553808 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.44 CCCNC(=S)NC1=CC=CC=C1 S615218 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.44 CCONC(=O)NC1=CC=CC=C1 R270830 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 S427357 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.44 CN(CCCN)CC1=CC=CC=C1 OTV000381 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.44 CNCCN(C)CC1=CC=CC=C1 PH014509 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.44 O=C(NCCCl)NC1=CC=CC=C1 R594377 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S556297 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.44 OCCNC(=S)NC1=CC=CC=C1 S531359 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [0,1,0,0,0,0|1,0,0]=2 78 B13R1.47 CCNC(=S)N(C)C1=CC=CC=C1 PH007347 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.47 CCOC(=N)C(Cl)C1=CC=CC=C1 S767735 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.79 CCN(CCCl)CC1=CC=CC=C1 S376841 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.79 CCS/C(=N/C1=CC=CC=C1)/NC PH012162 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 S613193 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.348 CC(CC1=CC=CC=C1)NC(=S)N L259071 [0,1,0,0,0,0|1,0,1]=3 89 B13R1.348 CC(CN(C)C)OC1=CC=CC=C1 PH012058 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.348 CN(C)CC(Cl)CC1=CC=CC=C1 PH012586 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.470 CCCC(=O)CC1=CC=CC=C1F ASX00046 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.470 CCNC(=O)CC1=CC=CC=C1Br CDS023697 [0,1,0,0,0,0|1,0,1]=3 94 B13R1.470 CCNC(=O)NC1=C(C=CC=C1)C S640336 [0,1,0,0,0,0|2,0,1]=4 95 B13R1.470 CCNC(=O)NC1=CC=CC=C1Cl S595683 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.470 CCNC(=S)NC1=C(C=CC=C1)F S675040 [0,1,0,0,0,0|2,0,1]=4 97 B13R1.470 CCNC(=S)NC1=CC=CC=C1N TMT00573 [0,1,0,0,0,0|2,0,1]=4 98 B13R1.470 CCOC(=O)CC1=C(C=CC=C1)Br PH009974 [0,1,0,0,0,0|2,0,1]=4 99 B13R1.1327 CCCC(C)(O)CC1=CC=CC=C1 S946702 [0,1,0,0,0,0|1,0,0]=2 100 B13R1.1327 CCO[Si](Cl)(Cl)CC1=CC=CC=C1 S584649 [0,1,0,0,0,0|2,1,0]=4 101 B13R1.1327 C[N+]([O-])(CCO)CC1=CC=CC=C1 S412228 [0,1,0,0,0,0|3,0,0]=4 102 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [0,0,0,1,0,0|0,0,0]=1 103 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.15 NN1CCCC1C2=CC=CC=C2 PH011021 [0,0,0,1,0,0|3,0,0]=4 105 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 PH018837 [0,0,0,1,0,0|2,0,0]=3 106 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,0,0,1,0,0|1,0,1]=3 107 B13R2.15 S=C1NCCN1C2=CC=CC=C2 PH007818 [0,0,0,1,0,0|2,0,1]=4 108 B13R2.26 CCNC1=NC2=CC=CC=C2S1 CDS011335 [0,0,0,1,0,0|2,0,1]=4 109 B13R2.64 C1=CC(=CN=C1)CC2=NCCN2 PH012887 [0,0,0,1,0,0|2,0,1]=4 110 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 PH011177 [0,0,0,1,0,0|2,0,0]=3 111 B13R2.64 C1=CC=C(C=C1)CN2CCOC2 CDS000096 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.64 C1=CC=C(C=C1)C[S+]2CCCC2 SYX00265 [0,0,0,1,0,0|2,0,0]=3 113 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 PH011144 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.64 C1=CC=C(C=C1)SC2C=CCC2 T278858 [0,0,0,1,0,0|2,0,1]=4 115 B13R2.64 C1=CC=C(N=C1)CC2CCCN2 CDS013764 [0,0,0,1,0,0|1,0,0]=2 116 B13R2.64 C1=CN=C(C=C1)NC2CCCC2 EME00355 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.64 N1CCN=C1CC2=CC=CC=C2 S734241 [0,0,0,1,0,0|1,0,1]=3 118 B13R2.135 CCN1C(=NC2=C1C=CC=C2)Cl L202525 [0,0,0,1,0,0|2,0,1]=4 119 B13R2.135 CC[N+]1=C(SC2=C1C=CC=C2)C L201685 [0,0,0,1,0,0|1,0,2]=4 120 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,0,0,1,0,0|2,0,1]=4 121 B13R2.163 OC1CCCC2=C(C1)C=CC=C2 S58158 [0,0,0,1,0,0|2,0,0]=3 122 B13R2.444 CC(NC1=CC=CC=C1)C2CC2 S248886 [0,0,0,1,0,0|2,0,0]=3 123 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,0,0,0,1,0|1,0,1]=3 124 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,0,0,0,1,0|3,0,0]=4 125 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,0,0,0,1,0|1,0,2]=4 126 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,0,0,0,1,0|2,0,1]=4 127 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,0,0,0,1,0|1,0,0]=2 128 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,0,0,0,1,0|2,0,0]=3 129 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,0,0,0,1,0|3,0,0]=4 130 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,0,0,0,1,0|1,0,1]=3 131 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,0,0,0,1,0|2,0,1]=4 132 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,0,0,0,1,0|2,0,0]=3 133 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,0,0,0,1,0|3,0,0]=4 134 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,0,0,0,1,0|3,0,0]=4 136 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,0,0,0,1,0|2,0,1]=4 137 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [0,0,0,0,0,1|2,0,1]=4 138 B13R1.42 CCCC(O)CSC1=CC=CC=C1 S314021 [0,0,0,0,0,1|2,0,0]=3 139 B13R1.42 CCNC(=O)NNC1=CC=CC=C1 PH007136 [0,0,0,0,0,1|2,0,1]=4 140 B13R1.42 CCNC(=S)NNC1=CC=CC=C1 PH007156 [0,0,0,0,0,1|2,0,1]=4 141 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [0,0,0,0,0,1|2,0,1]=4 142 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [0,0,0,0,0,1|2,0,1]=4 143 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,0,0,0,0,1|2,0,1]=4 144 B13R1.42 CN(CCN)CCC1=CC=CC=C1 PH014610 [0,0,0,0,0,1|3,0,0]=4 145 B13R1.42 CNCC(O)COC1=CC=CC=C1 CDS001676 [0,0,0,0,0,1|3,0,0]=4 146 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,0,0,0,0,1|2,0,1]=4 147 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|1,0,0]=3 153 B10R1.17 COCCC1=CC=NC=C1 PH007374 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|1,0,0]=3 157 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|0,1,0]=3 159 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|0,0,2]=4 160 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|1,0,0]=3 163 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|1,0,0]=3 166 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.1 ClCNCNC1=CC=C(C=C1)I R433829 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.8 BrCCCCSC1=CC=CC=C1 PH010302 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.8 CCCCCOC1=CN=CC=C1 S417505 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,1,0,0,0,0|0,0,0]=2 182 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,1,0,0,0,0|0,0,0]=2 184 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,1,0,0,0,0|0,0,0]=2 185 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.8 OCCSCCC1=NC=CC=C1 PH011432 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.28 CCCCOC1=CC=CC(=C1)N CBR00368 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.28 CCCCOC1=CC=CC(=C1)O PH015345 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.28 CCOCCC1=CC=CC(=N1)C S361399 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,1,0,0,0,0|0,0,1]=3 201 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.252 CC(C)NCCC1=CC=CC=N1 PH010347 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,1,0,0,0,0|1,0,0]=3 205 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [1,1,0,0,0,0|1,1,0]=4 213 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [1,1,0,0,0,0|1,0,1]=4 218 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|1,0,0]=3 219 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [1,1,0,0,0,0|0,0,0]=2 224 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,1,0,0,0,0|1,0,1]=4 229 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,1,0,0,0,0|1,0,1]=4 230 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,1,0,0,0,0|1,0,1]=4 231 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|0,0,0]=2 234 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.118 CCN(CC)CC1=CC=CC=N1 S345962 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [1,1,0,0,0,0|0,0,0]=2 237 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [1,1,0,0,0,0|1,0,1]=4 239 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,1,0,0,0,0|0,0,0]=2 242 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [0,1,0,0,1,0|0,0,0]=2 247 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [0,1,0,0,1,0|2,0,0]=4 248 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [0,1,0,0,1,0|2,0,0]=4 249 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [0,1,0,0,1,0|2,0,0]=4 250 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [0,1,0,0,1,0|2,0,0]=4 251 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [0,1,0,0,1,0|2,0,0]=4 252 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [0,1,0,0,1,0|2,0,0]=4 253 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [0,1,0,0,1,0|1,0,1]=4 254 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [0,1,0,0,1,0|1,0,1]=4 255 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,1,0,0,1,0|1,0,1]=4 256 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [0,1,0,0,1,0|1,0,1]=4 257 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [0,1,0,0,1,0|1,0,0]=3 258 B12R1.39 CCNS(=O)(=O)C1=CC=CC=C1 PH009839 [0,1,0,0,1,0|2,0,0]=4 259 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [0,1,0,0,1,0|2,0,0]=4 260 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,1,0,0,1,0|1,0,1]=4 261 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,1,0,0,1,0|1,0,1]=4 262 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,1,0,0,1,0|2,0,0]=4 263 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [0,1,0,0,1,0|1,0,0]=3 264 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [0,1,0,0,1,0|1,0,1]=4 265 B14R1.29 CCCC(C)NC(=O)C1=CC=CC=C1 R269034 [0,1,0,0,0,1|1,0,1]=4 266 B14R1.29 CCCN(C)CC(O)C1=CC=CC=C1 PH014920 [0,1,0,0,0,1|2,0,0]=4 267 B14R1.60 CCNC(=O)N(C)CC1=CC=CC=C1 S775401 [0,1,0,0,0,1|1,0,1]=4 268 B14R1.156 CCCNC(=O)COC1=CC=CC=C1 R329312 [0,1,0,0,0,1|1,0,1]=4 269 B14R1.156 CCNCC(=O)NCC1=CC=CC=C1 PH014806 [0,1,0,0,0,1|1,0,1]=4 270 B14R1.156 CCSNC(=O)NCC1=CC=CC=C1 T110957 [0,1,0,0,0,1|1,0,1]=4 271 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 PH016091 [0,1,0,0,0,1|1,0,1]=4 272 B14R1.156 O=C(COC1=CC=CC=C1)NCCO S350796 [0,1,0,0,0,1|1,0,1]=4 273 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C S900125 [0,1,0,0,0,1|1,0,1]=4 274 B14R1.756 COC(=O)C(C)CSC1=CC=CC=C1 S614033 [0,1,0,0,0,1|2,0,0]=4 275 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [0,1,0,0,0,1|1,0,1]=4 276 B14R1.818 CC(=O)OC(C)COC1=CC=CC=C1 PH006975 [0,1,0,0,0,1|1,0,1]=4 277 B14R1.818 CC(C)NC(=O)NCC1=CC=CC=C1 S698482 [0,1,0,0,0,1|1,0,1]=4 278 B14R1.34 CCCNC(=O)CC1=CC(=CC=C1)Br R348597 [0,2,0,0,0,0|1,0,1]=4 279 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 R371467 [0,2,0,0,0,0|1,0,1]=4 280 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 S372609 [0,2,0,0,0,0|0,0,0]=2 281 B14R1.423 CC(=O)OC[C@@H](C)CC1=CC=CC=C1 T287105 [0,2,0,0,0,0|1,0,1]=4 282 B14R1.423 CC(C)NCC(O)CC1=CC=CC=C1 PH013395 [0,2,0,0,0,0|1,0,0]=3 283 B14R1.423 CC(CC1=CC=CC=C1)/N=C/N(C)C PH012924 [0,2,0,0,0,0|0,0,2]=4 284 B14R1.467 CCN(CCCN)CC1=CC=CC=C1 PH014715 [0,2,0,0,0,0|2,0,0]=4 285 B14R1.743 CC(CO)NC(=O)CC1=CC=CC=C1 PH010622 [0,2,0,0,0,0|1,0,1]=4 286 B14R1.743 CCC(C)NC(=O)CC1=CC=CC=C1 R269298 [0,2,0,0,0,0|1,0,1]=4 287 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [0,2,0,0,0,0|0,0,1]=3 288 B14R1.417 CC(=O)OC(C)C(C)C1=CC=CC=C1 S495166 [0,2,0,0,0,0|1,0,1]=4 289 B14R1.604 CCCC(C)C(C#N)C1=CC=CC=C1 S381950 [0,2,0,0,0,0|1,0,0]=3 290 B14R1.494 C(=O)CC(/C=C/C)CC1=CC=CC=C1 T211516 [0,2,0,0,0,0|1,0,1]=4 291 B14R1.494 CCN/C(=N/C1=CC=CC=C1)/SCC PH012173 [0,2,0,0,0,0|1,0,1]=4 292 B14R1.425 CC(C)C(=O)N(C)CC1=CC=CC=C1 S861278 [0,2,0,0,0,0|2,0,0]=4 293 B14R1.425 CC(CC1=CC=CC=C1)C(=O)N(C)C S497673 [0,2,0,0,0,0|2,0,0]=4 294 B14R1.1485 CC(=O)NC(C)(C)CC1=CC=CC=C1 PH007623 [0,2,0,0,0,0|0,0,1]=3 295 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,1,0,0|1,0,0]=3 296 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,1,0,0|1,0,0]=3 297 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,1,0,0|0,0,0]=2 298 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [1,0,0,1,0,0|0,0,2]=4 299 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [1,0,0,1,0,0|2,0,0]=4 300 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [1,0,0,1,0,0|0,0,0]=2 301 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [1,0,0,1,0,0|2,0,0]=4 302 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [1,0,0,1,0,0|2,0,0]=4 303 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [1,0,0,1,0,0|2,0,0]=4 304 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [1,0,0,1,0,0|2,0,0]=4 305 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [1,0,0,1,0,0|1,0,0]=3 306 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [1,0,0,1,0,0|2,0,0]=4 307 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [1,0,0,1,0,0|0,0,0]=2 308 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [1,0,0,1,0,0|1,0,0]=3 309 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [1,0,0,1,0,0|1,0,0]=3 310 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [0,0,0,1,1,0|2,0,0]=4 311 B14R2.21 CC1CCCN(N1)C2=CC=CC=C2 CBR02313 [0,0,0,1,0,1|2,0,0]=4 312 B14R2.21 CC1CN(CCN1)C2=CC=CC=C2 CBR00746 [0,0,0,1,0,1|0,0,0]=2 313 B14R2.30 N[C@@H]1CCC[C@@H]1CC2=CC=CC=C2 PH018573 [0,0,0,1,0,1|2,0,0]=4 314 B14R2.52 CC1NC(=O)COC2=C1C=CC=C2 R733776 [0,0,0,1,0,1|1,0,1]=4 315 B14R2.101 C1=CC=C(C=C1)CCC2CCNC2 CDS010462 [0,0,0,1,0,1|2,0,0]=4 316 B14R2.101 C1=CC=C(C=C1)COC2CCNC2 MNO000089 [0,0,0,1,0,1|2,0,0]=4 317 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 PH011808 [0,0,0,1,0,1|1,0,1]=4 318 B14R2.101 C1=CC=C(N=C1)CNC2CCCC2 T327379 [0,0,0,1,0,1|2,0,0]=4 319 B14R2.203 CCN1C2=CC=CC=C2NCC1C OTV000782 [0,0,0,1,0,1|0,0,0]=2 320 B14R2.280 O=C1CCC2=CC=CC=C2CCN1 T176400 [0,0,0,1,0,1|1,0,1]=4 321 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,0,0,1,0,1|1,0,1]=4 322 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,0,0,1,0,1|1,0,1]=4 323 B14R2.2899 CC(NCC1=CC=CC=C1)C2CC2 S246123 [0,0,0,1,0,1|1,0,0]=3 324 B14R2.72 BrC1=CC=C(C=C1)CN2CCCC2 PH015438 [0,1,0,1,0,0|2,0,0]=4 325 B14R2.72 ClC1=CC=C(C=C1)CN2CCCC2 PH012276 [0,1,0,1,0,0|2,0,0]=4 326 B14R2.72 NC1=CC=C(C=C1)CN2CCCC2 CBR00965 [0,1,0,1,0,0|2,0,0]=4 327 B14R2.926 N[C@@H]1CCC[C@@H]1C2=CC=C(C=C2)F PH018588 [0,1,0,1,0,0|2,0,0]=4 328 B14R2.716 CC1=CC(=NC=C1)CC2CCCN2 PH019440 [0,1,0,1,0,0|1,0,0]=3 329 B14R2.716 NC1=CC(=CC=C1)CN2CCCC2 CBR01277 [0,1,0,1,0,0|2,0,0]=4 330 B14R2.716 NC1=CC=CC(=C1)OC2CCCC2 T316377 [0,1,0,1,0,0|2,0,0]=4 331 B14R2.716 OC1=CC=CC(=C1)CN2CCCC2 PH009277 [0,1,0,1,0,0|2,0,0]=4 332 B14R2.4217 CCN1C(=NC2=C1C=CC(=C2)Cl)C S452912 [0,1,0,1,0,0|1,0,1]=4 333 B14R2.4217 CCN1C(=NC2=C1C=CC(=C2)N)C S406392 [0,1,0,1,0,0|1,0,1]=4 334 B14R2.6 C1=CC=C(C=C1)CC2CCCCC2 S511749 [0,1,0,1,0,0|1,0,0]=3 335 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 PH002329 [0,1,0,1,0,0|0,0,0]=2 336 B14R2.6 C1=CC=C(C=C1)CC2CNCCO2 CDS019174 [0,1,0,1,0,0|1,0,0]=3 337 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 CDS010466 [0,1,0,1,0,0|0,0,0]=2 338 B14R2.6 C1=CC=C(C=C1)C[C@H]2NCCCO2 PH016293 [0,1,0,1,0,0|0,0,0]=2 339 B14R2.6 C1=CC=C(C=C1)OC2C=CCCC2 T181099 [0,1,0,1,0,0|2,0,0]=4 340 B14R2.6 C1=CC=C(C=C1)SC2CCCCC2 T285129 [0,1,0,1,0,0|2,0,0]=4 341 B14R2.6 C1=CC=C(C=C1)SC2CCCCO2 S865001 [0,1,0,1,0,0|2,0,0]=4 342 B14R2.6 C1=CC=C(N=C1)CC2CCCCN2 PH018458 [0,1,0,1,0,0|1,0,0]=3 343 B14R2.6 C1=CN=C(C=C1)CC2CCCNC2 PH018229 [0,1,0,1,0,0|1,0,0]=3 344 B14R2.6 C1=CN=C(N=C1)CC2CCCNC2 PH018394 [0,1,0,1,0,0|2,0,0]=4 345 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,1,0,1,0,0|1,0,1]=4 346 B14R2.24 CN1CCNCC1C2=CC=CC=C2 CBR00615 [0,1,0,1,0,0|2,0,0]=4 347 B14R2.24 NC1CCCCC1C2=CC=CC=C2 PH012427 [0,1,0,1,0,0|2,0,0]=4 348 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S456764 [0,1,0,1,0,0|2,0,0]=4 349 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S459771 [0,1,0,1,0,0|2,0,0]=4 350 B14R2.114 C=C(C1=CC=CC=C1)C2CCCC2 S960012 [0,1,0,1,0,0|1,0,1]=4 351 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 PH000033 [0,1,0,1,0,0|1,0,1]=4 352 B14R2.317 CC1NCCC1(O)C2=CC=CC=C2 PH012642 [0,1,0,1,0,0|0,0,0]=2 353 B14R2.317 C[C@@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236691 [0,1,0,1,0,0|1,0,0]=3 354 B14R2.317 C[C@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236705 [0,1,0,1,0,0|1,0,0]=3 355 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [0,1,0,1,0,0|2,0,0]=4 356 B14R2.4514 CC1C(=CCN1C)C2=CC=CC=C2 PH012736 [0,1,0,1,0,0|0,0,2]=4 357 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 T199419 [0,1,0,1,0,0|0,0,1]=3 358 B14R2.50 NC1=CC=CC=C1CN2CCCC2 CBR00332 [0,1,0,1,0,0|2,0,0]=4 359 B14R2.827 CCOC1(OC2=C(O1)C=CC=C2)C S919519 [0,1,0,1,0,0|2,0,0]=4 360 B14R2.21280 O=S(=O)(CC1=CC=CC=C1)N2CC2 S14002 [0,1,0,1,0,0|2,0,0]=4 361 B14R2.21280 O=S(=O)(CC1=CC=CC=C1)N2CC2 S248541 [0,1,0,1,0,0|2,0,0]=4 362 B14R3.49 C1=CC2=C(C=C1)N3CCCC3=N2 L202975 [0,0,0,2,0,0|1,0,1]=4 363 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,0,0,2,0,0|1,0,1]=4 364 B10R1.21 CCNCCN1C=CC=N1 CBR01928 [1,0,0,0,1,0|2,0,0]=4 365 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,0,0,0,1,0|1,0,0]=3 366 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,0,0,0,1,0|1,0,0]=3 367 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,0,0,0,1,0|2,0,0]=4 368 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [1,0,0,0,1,0|2,0,0]=4 369 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [1,0,0,0,1,0|2,0,0]=4 370 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [1,0,0,0,1,0|2,0,0]=4 371 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,0,0,0,1,0|1,0,0]=3 372 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,0,0,0,1,0|2,0,0]=4 373 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,0,0,0,1,0|0,0,0]=2 374 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,0,0,0,1,0|0,0,0]=2 375 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [1,0,0,0,1,0|2,0,0]=4 376 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,0,0,0,1,0|2,0,0]=4 377 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,0,0,0,1,0|2,0,0]=4 378 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,0,0,0,1,0|2,0,0]=4