0 B12R1.17 C=CCC(N)C1=CC=CC(=C1)Cl PH015654 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.17 CCCC(O)C1=C[N+](=CC=C1)[O-] S668400 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [1,0,0,0,0,0|0,0,0]=1 11 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [1,0,0,0,0,0|0,0,0]=1 12 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,0,0,0,0,0|0,0,2]=3 19 B11R1.23 CCC(O)C1=NC(=CC=C1)N PH018486 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [1,0,0,0,0,0|0,0,2]=3 24 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [1,0,0,0,0,0|0,0,0]=1 29 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.24 COCCC1=CC=CC(=N1)C S369543 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [1,0,0,0,0,0|3,0,0]=4 38 B13R1.18 CCCCC(O)C1=C[N+](=CC=C1)[O-] S668249 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O EME00429 [0,1,0,0,0,0|1,0,2]=4 40 B13R1.460 CCCC(=O)C1=CC=CC(=C1)OC PH010216 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.460 CNCC(O)C1=CC(=CC=C1)OC PH009882 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.466 CNCC(O)C1=CC(=C(C=C1)F)F PH015262 [0,1,0,0,0,0|1,0,0]=2 43 B13R2.13 CC1=CC=CC(=C1)C2OCCO2 PH003555 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.13 ClC1=CC=CC(=C1)C2CCNC2 CBR02308 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.162 CC1=CC=C2OCCC(C2=C1)O PH017425 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.162 NC1CCCC2=CC=C(C=C12)O PH019049 [0,0,0,1,0,0|2,0,0]=3 47 B13R2.162 O=C1CCCC2=C1C=C(C=C2)O PH010225 [0,0,0,1,0,0|1,0,2]=4 48 B13R2.342 CC1=C2OCCC(C2=CC=C1)O PH017424 [0,0,0,1,0,0|3,0,0]=4 49 B13R2.342 OC1CCOC2=C1C=CC=C2F PH017426 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.5187 CC1CC(=O)C2=C1C=C(C=C2)O PH008300 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.17 COCCC1=CC=NC=C1 PH007374 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|1,1,0]=4 73 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [2,0,0,0,0,0|0,0,0]=2 76 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [2,0,0,0,0,0|1,0,0]=3 77 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [2,0,0,0,0,0|1,0,1]=4 93 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [1,1,0,0,0,0|0,0,0]=2 101 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.30 OCC#CC(O)C1=CC=CC=C1 PH007064 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [1,1,0,0,0,0|0,0,0]=2 109 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.10 CC(C)(CN)C1=CC=CC(=C1)Cl OTV000601 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.13 CNC(C#N)C1=CC(=CC=C1)Cl L479241 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.13 COC(OC)C1=CC=CC(=C1)N PH002938 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.225 OC(C1=CC=CC(=C1)Cl)C(Cl)Cl S407143 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [1,1,0,0,0,0|0,0,2]=4 127 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,1,0,0,0,0|0,0,2]=4 128 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.435 COC1=CC=CC(=C1)C(Br)CBr PH006231 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.28 CC1=CC(=CC=C1)OCCNN PH019453 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.28 CCCCOC1=CC=CC(=C1)N CBR00368 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.28 CCCCOC1=CC=CC(=C1)O PH015345 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.28 COCCOC1=CC(=CC=C1)N CBR01420 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.374 CC1=CC=C(C(=C1)CCNN)C PH019452 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.382 COC1=CC(=CC=C1)CCCN CBR01749 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.382 COC1=CC(=CC=C1)CCCO PH016113 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.382 COC1=CC=CC(=C1)CCNN PH019074 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.385 CCCCC1=CC(=C(C=C1)N)C CDS010548 [1,1,0,0,0,0|2,0,0]=4 143 B14R1.149 CC(C)NCC(O)C1=CC=CC(=C1)Cl CDS001369 [0,2,0,0,0,0|1,0,0]=3 144 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)O PH012110 [0,2,0,0,0,0|0,0,2]=4 145 B14R1.149 CN(C)CCC(O)C1=CC=CC(=C1)F PH014106 [0,2,0,0,0,0|1,0,0]=3 146 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,1,0,0|2,0,0]=4 147 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,1,0,0|2,0,0]=4 148 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [1,0,0,1,0,0|2,0,0]=4 149 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,1,0,0|1,0,0]=3 150 B12R2.1081 OC1CCCC2=CC=CN=C12 CDS003538 [1,0,0,1,0,0|2,0,0]=4 151 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [1,0,0,1,0,0|2,0,0]=4 152 B12R2.132 NC1CCC2=CC=C(C=C12)Cl CDS009346 [1,0,0,1,0,0|2,0,0]=4 153 B12R2.1282 CC1=CC=CC(=C1)C2(CC2)N CDS009085 [1,0,0,1,0,0|2,0,0]=4 154 B12R2.1282 NC1(CC1)C2=CC=CC(=C2)Cl CBR00915 [1,0,0,1,0,0|2,0,0]=4 155 B12R2.2313 ClC1=CC=CC(=C1)C2CNC2 CDS020411 [1,0,0,1,0,0|2,0,0]=4 156 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [1,0,0,1,0,0|2,0,0]=4 157 B12R2.24 BrC1=CC=C2CNCCC2=C1 CDS010128 [1,0,0,1,0,0|1,0,0]=3 158 B12R2.24 ClC1=CC=C2CNCCC2=C1 CDS020263 [1,0,0,1,0,0|1,0,0]=3 159 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [1,0,0,1,0,0|2,0,0]=4 160 B14R2.21 CC1=CC=CC(=C1)C2CCCNC2 CBR01260 [0,1,0,1,0,0|2,0,0]=4 161 B14R2.21 FC1=CC=CC(=C1)C2CCNCC2 CDS005497 [0,1,0,1,0,0|2,0,0]=4 162 B14R2.21 FC1=CC=CC(=C1)C2CCNCC2 CDS009654 [0,1,0,1,0,0|2,0,0]=4 163 B14R2.21 NC1=CC=CC(=C1)C2OCCCO2 TMT00020 [0,1,0,1,0,0|2,0,0]=4 164 B14R2.21 OC1=CC=CC(=C1)C2OCCCO2 TMT00070 [0,1,0,1,0,0|1,0,0]=3 165 B14R2.1078 COC1=CC=CC2=C1CCCC2N PH019065 [0,1,0,1,0,0|2,0,0]=4 166 B14R2.1078 COC1=CC=CC2=C1CCCC2O S937266 [0,1,0,1,0,0|1,0,0]=3 167 B14R2.30096 CC1=CC=C(C(=C1)C(O)C2CC2)C S345156 [0,1,0,1,0,0|2,0,0]=4 168 B14R2.954 CC1=CC=C(C=C1C)C(O)C2CC2 PH018506 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.11 CNC[C@@H](O)C1=CC=CO1 PH008825 [1,0,0,0,1,0|1,0,0]=3 170 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [1,0,0,0,0,1|1,0,1]=4 171 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [1,0,0,0,0,1|1,0,1]=4 172 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [1,0,0,0,0,1|2,0,0]=4 173 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,0,0,0,0,1|1,0,0]=3