0 B12R1.151 CC(C)(C)SC1=C(C=CN=C1)N ADE000291 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.151 CC(C)(C)SC1=CC=CN=C1N ADE000271 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.151 CS(=O)(=O)NC1=C(C=CC=C1)Cl T100056 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)Cl T281255 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,0,0,0,0,0|1,1,1]=4 5 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.86 CC(C)OC1=NC=CC=C1I ADE000296 [1,0,0,0,0,0|2,1,0]=4 7 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,0,0,0,0,0|1,1,1]=4 14 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [1,0,0,0,0,0|1,1,0]=3 27 B13R1.276 CC(C)(N)C(=O)C1=CC=CC=C1Cl PH012874 [0,1,0,0,0,0|0,0,1]=2 28 B13R1.276 CC1=CC=CC=C1C(=O)C(C)(C)C S732737 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.276 OC(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl PH000510 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.622 CC(C)(C)OC1=C(C=CC=C1)C#N OTV000799 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.622 CC(C)(C)OC1=C(C=CC=C1)CN OTV000706 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.217 NC1(CC1)CC2=CC=CC=C2Cl PH019115 [0,0,0,1,0,0|0,0,0]=1 33 B13R2.222 CC1(CNC2=CC=CC=C2N1)C OTV000781 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.222 CC1(CNC2=CC=CC=C2O1)C VBP00113 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.222 CC1(CNC2=CC=CC=C2S1)C VBP00119 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.222 C[N+]1(C=CC2=C(C1)C=CC=C2)C S487481 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.222 C[N+]1(CCC2=C(C1)C=CC=C2)C S882763 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.87 CC(C)(N)C1=CC=CC=C1F OTV000632 [0,0,0,0,1,0|0,1,0]=2 39 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [0,0,0,0,1,0|1,1,0]=3 40 B11R1.87 CC1=CC=CC=C1[Si](C)(C)C S837741 [0,0,0,0,1,0|2,1,0]=4 41 B11R1.87 C[Si](C)(C)C1=CC=CN=C1Cl SYX00316 [0,0,0,0,1,0|2,1,0]=4 42 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.4 CCNC1=CC=CC=C1C S571016 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.4 CCOC1=CC=CC=C1F S362085 [2,0,0,0,0,0|1,1,0]=4 47 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [2,0,0,0,0,0|1,1,0]=4 51 B10R1.4 CSCC1=CC=CC=C1Br S663395 [2,0,0,0,0,0|1,1,0]=4 52 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.4 NCCN1C=CC=CC1=O PH019084 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.4 NCCN1C=CC=CC1=O T300829 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|0,0,2]=4 57 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.75 C(=O)C1=C(C=CC=C1)OC(C)C CDS002654 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.75 CN(C)CC1=CC=CC=C1C=O CDS011836 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.75 COC1=CC=CC=C1CN(C)N PH007520 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.75 CSC1=CC=CC=C1CN(C)N PH013334 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.124 CC1=CC=CC=C1C(=O)C(C)C PH001066 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.127 CC(C)OC1=CC(=CC=C1Br)F CDS023353 [1,1,0,0,0,0|1,1,0]=4 69 B12R1.127 CC1=CC=C(C(=C1)CN(C)C)O PH019553 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.127 CN(C)CC1=C(C=CC(=C1)Cl)O PH002200 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.127 CN(C)CC1=CC(=CC=C1Br)O CDS022289 [1,1,0,0,0,0|1,1,0]=4 72 B12R1.224 CC1=CC=CC(=C1O)CN(C)C PH019066 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.224 CN(C)CC1=C(C(=CC=C1)F)O PH019178 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.224 CN(C)CC1=CC=CC(=C1O)Cl PH018977 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.224 CN(N)CC1=CC=CC(=C1Cl)Cl PH001312 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl CDS002313 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.233 CN(N)CC1=CC=C(C=C1Cl)Cl PH001217 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.233 NC(=S)CC1=C(C=C(C=C1)F)Cl PH015040 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [1,1,0,0,0,0|1,1,0]=4 82 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.1009 CN(C)CC1=C(C=CC=C1F)O PH018981 [1,1,0,0,0,0|1,1,0]=4 85 B12R1.1009 CN(N)CC1=C(C=CC=C1Cl)Cl PH007582 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.1009 N=C(N)CC1=C(C=CC=C1F)Cl PH015036 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.1009 NC(=S)CC1=C(C=CC=C1Cl)Cl PH014656 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N OTV000288 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.106 CC(C)(C)SC1=CC=C(C=C1)Cl PH007438 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Cl R278378 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [1,1,0,0,0,0|0,0,1]=3 92 B12R1.194 CC(C)(C#N)SC1=CC=CC=C1 S919322 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [1,1,0,0,0,0|0,0,0]=2 94 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [1,1,0,0,0,0|0,0,0]=2 97 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.76 CC(C)(C)C1=CC=CC=C1NN PH018938 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.126 CC(C)(N)C1=CC=C(C=C1Cl)Cl OTV000624 [0,1,0,0,1,0|0,0,0]=2 101 B12R1.195 CC(C)(CN)C1=CC=CC=C1F OTV000631 [0,1,0,0,1,0|0,1,0]=3 102 B12R1.1010 C[Si](C)(C)C1=C(C=CC=C1Cl)Cl S825557 [0,1,0,0,1,0|1,1,0]=4 103 B14R1.4451 CC(C)(C)NC(=O)C1=C(C=CC=C1)Cl R333204 [0,1,0,0,0,1|1,0,1]=4 104 B14R1.839 CCC1=CC=CC=C1C(=O)C(C)(C)N PH012899 [0,2,0,0,0,0|1,0,1]=4 105 B14R1.839 COC1=CC=CC=C1C(=O)C(C)(C)N PH012873 [0,2,0,0,0,0|1,0,1]=4 106 B14R1.1866 COC1=CC=C(C=C1CC(C)(C)Cl)Br R224731 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.6037 CC1=CC(=C(C=C1CC(C)(C)C)C)C S663301 [0,2,0,0,0,0|2,0,0]=4 108 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [1,0,0,1,0,0|1,0,0]=3 110 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [1,0,0,1,0,0|1,0,0]=3 111 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.95 CC1(NC2=C(S1)C=CC=C2)C S435333 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.92 BrC1(CC1C2=CC=CC=C2)Br L168734 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.88 CC1=CC=CC=C1C2(CC2)N CBR00919 [0,0,0,1,1,0|1,0,0]=3 115 B12R2.88 NC1(CC1)C2=CC=CC=C2Cl CBR00918 [0,0,0,1,1,0|0,0,0]=2 116 B14R2.2968 COC1=CC=CC=C1CC2(CC2)N PH019042 [0,1,0,1,0,0|1,0,0]=3 117 B14R2.29496 CC1(NC(=O)C2=CC=CC=C2O1)C PH001950 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,0,0,0,1,0|0,0,2]=4 119 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,0,0,0,1,0|0,1,0]=3 120 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,0,0,0,1,0|0,1,0]=3 121 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,0,0,0,1,0|0,0,0]=2 122 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,0,0,0,1,0|1,1,0]=4 123 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,0,0,0,1,0|1,0,0]=3 124 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [1,0,0,0,1,0|2,0,0]=4 125 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,0,0,0,1,0|1,0,0]=3 126 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,0,0,0,1,0|1,0,0]=3 127 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,0,0,0,1,0|1,0,1]=4 128 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,0,0,0,1,0|0,0,0]=2 129 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [1,0,0,0,1,0|2,0,0]=4 130 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [1,0,0,0,1,0|2,0,0]=4 131 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [1,0,0,0,1,0|2,0,0]=4 133 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [1,0,0,0,1,0|2,0,0]=4 134 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [1,0,0,0,0,1|0,0,2]=4 135 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [1,0,0,0,0,1|1,0,0]=3 136 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [1,0,0,0,0,1|2,0,0]=4 137 B12R1.125 CC1=CC=CC=C1CNC(C)C CDS011840 [1,0,0,0,0,1|1,0,0]=3 138 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [1,0,0,0,0,1|1,0,1]=4 139 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl T282057 [1,0,0,0,0,1|1,0,1]=4 140 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [1,0,0,0,0,1|1,0,1]=4