0 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,0,0,0,0,0|1,1,0]=2 7 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,0,0,0,0,0|2,1,0]=3 30 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,0,0,0,0,0|1,1,0]=2 33 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|1,1,1]=4 36 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 NC(=S)C1=NC=CC=N1 BOG00003 [1,0,0,0,0,0|2,1,0]=4 41 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,0,0,0,0,0|0,0,1]=2 51 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,0,0,0,0,0|0,0,1]=2 63 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.15 OCC1=CC=CC=N1O S459240 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.15 OCC1=NC=CC=C1O R578177 [1,0,0,0,0,0|1,0,2]=4 67 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.53 COC1=C(C=NC=N1)C(=O)O CDS021376 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,1,0,0,0,0|0,0,0]=1 75 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.53 NSC1=C(C=CC=C1)[N+](=O)[O-] T161500 [0,1,0,0,0,0|2,1,0]=4 80 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.87 CC(C)(N)C1=CC=CC=C1F OTV000632 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.87 CC1=CC=CC=C1S(=O)(=O)[O-] T330620 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.156 CC1=CC=CC(=C1[N+](=O)[O-])F MNO000069 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.156 NC(=S)C1=C(C=CC=C1F)F OTV000289 [0,1,0,0,0,0|1,1,0]=3 96 B11R1.156 NC1=C(C(=CC=C1)F)[N+](=O)[O-] CDS011868 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.156 O=C(O)C1=C(C=NC=C1F)F CDS002726 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.156 O=[N+]([O-])C1=C(C=CN=C1O)O R436798 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.156 OB(O)C1=C(C=CC=C1Cl)O CDS024328 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.159 NC1=C(C(=CC=C1)[N+](=O)[O-])Cl CDS020839 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Br)O ADE000723 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Cl)O ADE000441 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)I)O ADE000440 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.166 CC1=NC=C(C(=N1)N)C(=O)N PH016867 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.166 NC(=O)C1=CN=C(N=C1Cl)Cl MNO000176 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,1,0,0,0,0|1,1,0]=3 149 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,1,0,0,0,0|1,1,0]=3 150 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,1,0,0,0,0|0,0,0]=1 171 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,1,0,0,0,0|0,0,0]=1 180 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,1,0,0,0,0|0,1,0]=2 183 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.222 CC1=C(N=CC=C1)/C(=N/O)/N BOG00017 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,0,0,0,0|0,1,0]=2 207 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,1,0,0,0,0|1,1,0]=3 209 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,1,0,0,0,0|0,0,1]=2 217 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,1,0,0,0,0|1,0,0]=2 221 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,0,1,0,0,0|2,0,0]=3 222 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|2,0,0]=3 223 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|2,0,1]=4 224 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|1,0,1]=3 225 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|1,0,1]=3 226 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,1,0,0|1,1,1]=4 227 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,1,0,0|1,1,1]=4 228 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|2,0,0]=3 229 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [0,0,0,1,0,0|3,0,0]=4 230 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [0,0,0,1,0,0|3,0,0]=4 231 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|1,0,0]=2 232 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,0,0,1,0,0|2,0,0]=3 233 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,0,0|1,0,1]=3 234 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|1,0,0]=2 235 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|2,0,0]=3 236 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|2,1,0]=4 237 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,0,0,0,1,0|3,0,0]=4 238 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,0,0,0,1,0|3,0,0]=4 239 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,0,0,0,1,0|3,0,0]=4 240 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,0,0,0,1,0|3,0,0]=4 241 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,0,0,0,1,0|3,0,0]=4 242 B9R1.41 NC(=O)C1=C(C=NN1)N CBR00702 [0,0,0,0,1,0|3,0,0]=4 243 B9R1.41 NC(=O)C1=C(NN=C1)N JRD0197 [0,0,0,0,1,0|3,0,0]=4 244 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,0,0,0,1,0|2,0,0]=3 245 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,0,0,0,1,0|3,0,0]=4 246 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,0,0,0,1,0|3,0,0]=4 247 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,0,0,0,1,0|3,0,0]=4 248 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,0,0,0,1,0|3,0,0]=4 249 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,0,0,0,1,0|3,0,0]=4 250 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,0,0,0,0,1|2,0,1]=4 251 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,0,0,0,0,1|3,0,0]=4 252 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,0,0,0,0,1|2,0,0]=3 253 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,0,0,0,0,1|3,0,0]=4 254 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,0,0,0,0,1|3,0,0]=4 255 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,0,0,0,0,1|2,0,0]=3 256 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,0,0,0,0,1|2,0,0]=3 257 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,0,0,0,0,1|2,0,0]=3 258 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,0,0,0,0,1|2,0,0]=3 259 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,0,0,0,0,1|3,0,0]=4 260 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,0,0,0,0,1|2,0,0]=3 261 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,0,0,0,0,1|2,0,0]=3 262 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,0,0,0,0,1|2,0,1]=4 263 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,0,0,0,0,1|2,0,0]=3 264 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,0,0,0,0,1|1,0,0]=2 265 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,0,0,0,0,1|3,0,0]=4 266 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,0,0,0,0,1|3,0,0]=4 267 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,0,0,0,0,1|2,0,0]=3 268 B11R1.86 N=C(N)SC1=CC=CC=[N+]1[O-] PH013411 [0,0,0,0,0,1|2,0,1]=4 269 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,0,0,0,0,1|1,0,0]=2 270 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,0,0,0,0,1|1,0,0]=2 271 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,0,0,0,0,1|1,0,0]=2 272 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,0,0,0,0,1|0,0,0]=1 273 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,0,0,0,0,1|1,0,0]=2 274 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,0,0,0,0,1|1,0,0]=2 275 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,0,0,0,0,1|1,0,0]=2 276 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,0,0,0,0,1|1,0,0]=2 277 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,0,0,0,0,1|2,0,0]=3 278 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,0,0,0,0,1|2,0,1]=4 279 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|0,0,1]=3 286 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|1,0,1]=4 287 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 289 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.5 CC1=CN=CC=C1N CDS003217 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [2,0,0,0,0,0|0,1,0]=3 292 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|0,0,0]=2 295 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [2,0,0,0,0,0|1,0,1]=4 296 B8R1.5 NC1=CC=CN=C1O CDS007860 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.5 O=C1C=CC=CN1[K] T160997 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.5 O=C1NC=CC=C1Cl T161063 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.5 OC1=CN=CC=C1Br CDS021897 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.5 OC1=NC=CC=C1F CDS019950 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|0,1,0]=3 319 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [1,1,0,0,0,0|1,1,0]=4 320 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,1,0,0,0,0|0,0,1]=3 339 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|0,0,2]=4 340 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,1,0,0,0,0|0,1,0]=3 357 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [1,1,0,0,0,0|1,1,0]=4 359 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.363 CC1(C=CCC=C1)C(=O)N T270628 [1,1,0,0,0,0|0,0,2]=4 386 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.2 NNC1=CC=CC(=C1Cl)Cl S455369 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|0,0,1]=3 402 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.20 CNC1=CC=CC=C1CN PH016819 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.20 COC1=CC=CC=C1NN S264407 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.20 CSC1=CC=CC=C1CO PH002490 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [1,1,0,0,0,0|0,1,0]=3 414 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [1,1,0,0,0,0|0,0,2]=4 442 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,1,0,0,0,0|0,0,1]=3 448 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,1,0,0,0,0|0,0,2]=4 454 B10R1.245 C(=O)C1=C(C=CN=C1F)Br SYX00399 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.245 C(=O)C1=C(C=CN=C1F)I SYX00351 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.245 C(=O)C1=C(C=NC=C1F)F CDS009040 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.39 COC1=C(OC=C1)C(=O)C T285056 [0,1,0,0,1,0|2,0,0]=4 462 B10R1.39 COC1=C(OC=C1)C(=O)O T284718 [0,1,0,0,1,0|2,0,0]=4 463 B10R1.39 COC1=CSC=C1C(=O)O CDS015143 [0,1,0,0,1,0|2,0,0]=4 464 B10R1.59 CC1=CC(=C(O1)C)C(=O)N S825395 [0,1,0,0,1,0|2,0,0]=4 465 B10R1.59 CC1=CC(=C(S1)N)C(=O)N OTV000759 [0,1,0,0,1,0|2,0,0]=4 466 B10R1.149 CC1=C(C=CO1)C(=O)NN CDS005915 [0,1,0,0,1,0|2,0,0]=4 467 B10R1.149 CN1C=CC=C1C(=O)NN CDS015065 [0,1,0,0,1,0|2,0,0]=4 468 B10R1.192 NC(=O)N1C(=O)C=CC1=O S432431 [0,1,0,0,1,0|1,0,1]=4 469 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,1,0,0,0,1|1,0,1]=4 470 B12R1.75 CC(=O)NC1=CC=CC=C1C#N S192295 [0,1,0,0,0,1|2,0,0]=4 471 B12R1.75 CC(=O)OC1=CC=CC=C1C#N PH000056 [0,1,0,0,0,1|2,0,0]=4 472 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [0,1,0,0,0,1|2,0,0]=4 473 B12R1.75 CCC1=CC=CC=C1NC(=O)N S641782 [0,1,0,0,0,1|1,0,0]=3 474 B12R1.75 COC1=C(C=CC=C1)CC(=N)N PH016267 [0,1,0,0,0,1|1,0,0]=3 475 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [0,1,0,0,0,1|0,0,0]=2 476 B12R1.75 COC1=CC=CC=C1CN(C)N PH007520 [0,1,0,0,0,1|2,0,0]=4 477 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [0,1,0,0,0,1|0,0,0]=2 478 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [0,1,0,0,0,1|1,1,0]=4 479 B12R1.75 CSC1=CC=CC=C1CC(=O)O OTV000686 [0,1,0,0,0,1|1,1,0]=4 480 B12R1.75 N#CC1=CC=CC=C1CC(=O)O CDS011719 [0,1,0,0,0,1|2,0,0]=4 481 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,1,0,0,0,1|2,0,0]=4 482 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,1,0,0,0,1|2,0,0]=4 483 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,1,0,0,0,1|1,0,0]=3 484 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,1,0,0,0,1|2,0,0]=4 485 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,1,0,0,0,1|2,0,0]=4 486 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,1,0,0,0,1|2,0,0]=4 487 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.127 CC(=O)NC1=CC(=CN=C1O)I ADE000682 [0,1,0,0,0,1|2,0,0]=4 489 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,1,0,0,0,1|1,0,0]=3 490 B12R1.127 N=C(N)SC1=C(C=CC(=C1)O)O PH012138 [0,1,0,0,0,1|1,0,0]=3 491 B12R1.127 NC(=S)NC1=C(C=CC(=C1)Cl)Cl R611735 [0,1,0,0,0,1|1,1,0]=4 492 B12R1.151 CS(=O)(=O)NC1=CC=CC=C1O T312002 [0,1,0,0,0,1|2,0,0]=4 493 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)Cl T281255 [0,1,0,0,0,1|2,0,0]=4 494 B12R1.151 O=S(=O)([O-])CC1=CC=CC=C1O S775932 [0,1,0,0,0,1|2,0,0]=4 495 B12R1.224 CC(=O)NC1=C(C(=CN=C1)I)O ADE000683 [0,1,0,0,0,1|2,0,0]=4 496 B12R1.224 CC(=O)NC1=C(C(=NC=C1)I)O ADE000680 [0,1,0,0,0,1|2,0,0]=4 497 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,1,0,0,0,1|1,0,0]=3 499 B12R1.224 CC1=C(C(=CC=C1)NC(=S)N)C R238619 [0,1,0,0,0,1|1,1,0]=4 500 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,1,0,0,0,1|1,0,0]=3 501 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,1,0,0,0,1|2,0,0]=4 502 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,1,0,0,0,1|2,0,0]=4 504 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,1,0,0,0,1|2,0,0]=4 505 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,1,0,0,0,1|2,0,0]=4 506 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,1,0,0,0,1|1,0,0]=3 515 B12R1.233 CC1=CC=C(C(=C1)C)NC(=N)N S614645 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,1,0,0,0,1|1,0,0]=3 517 B12R1.233 CC1=CC=C(C(=C1)C)NC(=S)N R611220 [0,1,0,0,0,1|1,1,0]=4 518 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,1,0,0,0,1|1,0,0]=3 519 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,1,0,0,0,1|1,0,0]=3 520 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,1,0,0,0,1|1,0,0]=3 521 B12R1.233 NC(=S)CC1=C(C=C(C=C1)F)Cl PH015040 [0,1,0,0,0,1|1,1,0]=4 522 B12R1.233 NC(=S)NC1=CC=C(C=C1Cl)Cl S655031 [0,1,0,0,0,1|1,1,0]=4 523 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [0,1,0,0,0,1|1,0,1]=4 524 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [0,1,0,0,0,1|2,0,0]=4 525 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,1,0,0,0,1|1,0,0]=3 528 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,1,0,0,0,1|2,0,0]=4 529 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,0,0,0,1|1,0,0]=3 530 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,0,0,0,1|1,0,0]=3 531 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [0,1,0,0,0,1|1,1,0]=4 532 B12R1.371 CNC(=S)NC1=C(C=CC=C1)Cl PH010055 [0,1,0,0,0,1|1,1,0]=4 533 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,1,0,0,0,1|2,0,0]=4 536 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [0,1,0,0,0,1|1,0,1]=4 539 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [0,1,0,0,0,1|1,0,1]=4 540 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,1,0,0,0,1|1,0,0]=3 541 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,1,0,0,0,1|0,0,0]=2 542 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [0,1,0,0,0,1|1,0,0]=3 544 B12R1.371 O=C(CCl)NC1=C(C=CN=C1)O ADE000690 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.371 O=C(CCl)NC1=CC=CN=C1O ADE000691 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,1,0,0,0,1|1,0,0]=3 549 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)Cl R591661 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.1009 CC(=O)NC1=C(C=CC=C1Cl)Cl R646350 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.1009 CC(=O)OC1=C(C=CC=C1C)C S240354 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.1009 CC1=CC=CC(=C1NC(=O)N)Cl S708852 [0,1,0,0,0,1|1,0,0]=3 553 B12R1.1009 CC1=CC=CC(=C1NC(=S)N)C S862762 [0,1,0,0,0,1|1,1,0]=4 554 B12R1.1009 N=C(N)CC1=C(C=CC=C1F)Cl PH015036 [0,1,0,0,0,1|2,0,0]=4 555 B12R1.1009 NC(=S)CC1=C(C=CC=C1Cl)Cl PH014656 [0,1,0,0,0,1|1,1,0]=4 556 B12R1.1009 NC(=S)NC1=C(C=CC=C1Cl)Cl PH011794 [0,1,0,0,0,1|1,1,0]=4 557 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.46 CNC1=CC=C(C=C1C(=O)N)Cl S681199 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)Cl R703273 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.46 COC1=CC=C(C=C1C(=O)N)Cl L255351 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.46 COC1=CC=C(C=C1[N+](=O)[O-])Cl S426830 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.46 COC1=NC=C(C=C1C(=O)C)C ADE000759 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.46 COC1=NC=C(C=C1C(=O)O)C ADE000767 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.46 COC1=NC=C(C=C1C(=O)O)Cl ADE000181 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.46 COC1=NC=C(C=C1C(=O)O)F CDS015927 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.46 CSC1=C(C=C(C=C1)C)C(=O)C PH014774 [0,2,0,0,0,0|1,1,0]=4 569 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Br L255521 [0,2,0,0,0,0|1,1,0]=4 570 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Cl L255505 [0,2,0,0,0,0|1,1,0]=4 571 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Br CDS013504 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Cl CDS009784 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)Cl PH016231 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.57 COC1=CC(=CN=C1C(=O)O)Br ADE000556 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)C PH011701 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.76 COC1=CC=CC=C1P(=O)(O)O S915688 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.76 COC1=CC=CC=C1S(=O)(=O)Cl CDS007595 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.76 COC1=CC=CC=C1S(=O)(=O)O PH017869 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC CDS015715 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.77 CNC(=O)C1=CC=CC=C1CO S872261 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.77 CNC(=O)C1=CC=CC=C1NC PH013025 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.77 CNC(=S)C1=CC=CC=C1NC PH007472 [0,2,0,0,0,0|1,1,0]=4 585 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O KOB0002 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.77 COC(=O)C1=C(C=CC=C1)SC PH011017 [0,2,0,0,0,0|1,1,0]=4 587 B12R1.77 COC(=O)C1=CC=CC=C1C#N S445398 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.77 COC(=O)C1=CC=CC=C1CN CDS002791 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.77 COC1=CC=CC=C1/C(=N/O)/N PH011002 [0,2,0,0,0,0|0,0,1]=3 590 B12R1.77 COC1=CC=CC=C1/C(=N\O)/C S681385 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.77 COC1=CC=CC=C1C(=O)NN S550388 [0,2,0,0,0,0|0,0,0]=2 592 B12R1.77 NNC(=O)C1=C(C=CC=C1)CO S62120 [0,2,0,0,0,0|0,0,0]=2 593 B12R1.87 COC1=C(C=CC=C1C(=O)O)F CDS011471 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.87 COC1=C(C=CC=C1Cl)[N+](=O)[O-] S461369 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CDS021442 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.261 CS(=O)C1=C(C=CC=C1)B(O)O CDS021923 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.261 NC(=O)C1=CC=CC=C1B(O)O CDS006024 [0,2,0,0,0,0|0,0,0]=2 598 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)N S354791 [0,2,0,0,0,0|0,0,1]=3 599 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)[O-] L132101 [0,2,0,0,0,0|0,0,1]=3 600 B12R1.261 NC(=S)C1=C(C=CC=C1)C(=S)N BOG00128 [0,2,0,0,0,0|0,2,0]=4 601 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O CDS004617 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.261 O=C(O)C1=CC=CC=C1S(=O)O S986054 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CDS019640 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.283 CCNC1=CC=CC=C1C(=O)O S668524 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O PH011276 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.283 N#CCC1=CC=CC=C1C(=O)O CDS017971 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.283 O=CNC1=CC=CC=C1C(=O)O S636886 [0,2,0,0,0,0|1,0,1]=4 608 B12R1.437 COC1=C(C(=CC=C1)Br)C(=O)O CDS021573 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.437 COC1=CC=CC(=C1C(=O)O)C CBR02263 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.437 COC1=CC=CC(=C1C(=O)O)Cl CDS020805 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.437 COC1=CC=CC(=C1[N+](=O)[O-])F CDS011869 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.437 COC1=CN=CC(=C1C(=O)O)N ADE000470 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.126 CC1=CC(=C(C=C1)S(=O)(=O)N)C PH000222 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.128 CC1=C(C=C(C=C1)Br)S(=O)(=O)N CDS022257 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)N)C S505501 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.128 NC1=C(C=C(C=C1)Cl)S(=O)(=O)N PH000490 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)O S357820 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.128 NS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl PH011617 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.128 O=S(=O)([O-])C1=CC(=CC=C1O)O S430366 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.195 CNS(=O)(=O)C1=C(C=CC=C1)C PH000617 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.228 NS(=O)(=O)C1=C(C(=CC=C1)Cl)F L446637 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.1010 NC1=CC=CC(=C1S(=O)(=O)O)O S554294 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.894 CC(=O)C1=C(C(=CC=C1F)Cl)F PH015556 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.894 CC(=O)C1=C(C=CC(=C1O)C)O S81532 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)Cl S656658 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.894 CC1=C(C(=C(C=C1)Cl)O)C(=O)O PH008017 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.894 CC1=C(C(=C(C=C1)N)C(=O)O)Br TMT00142 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.894 CC1=C(C=CC(=C1[N+](=O)[O-])O)Br PH008038 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.894 CC1=CC=C(C(=C1I)C(=O)O)I L511919 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.894 NC(=O)C1=C(C(=CC=C1F)F)F T340596 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.894 NC1=C(C(=CC=C1Cl)Cl)C(=O)O S17397 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.894 O=C(O)C1=C(C(=CC=C1Cl)Cl)Cl R169676 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.894 O=C(O)C1=C(C=CC(=C1O)Br)O PH014538 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.894 O=C(O)C1=C(C=CC(=C1O)F)F CDS022676 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.1000 CC(=N)C1=C(C=C(C=C1O)O)O S638560 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C S991066 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)C S462284 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C S763225 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PH009772 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)N)C S356611 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.1000 CC1=CC(=C(C(=C1)I)C(=O)O)I L511978 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O S84299 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.1000 CC1=CC(=C(C(=C1)O)[N+](=O)[O-])C S809179 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)N)O R439762 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.1000 NC1=CC(=CC(=C1C(=O)O)Cl)Cl CDS017594 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O PH005103 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.1000 O=C([O-])C1=C(C=C(C=C1O)O)O S504165 [0,2,0,0,0,0|1,0,0]=3 649 B12R1.3441 COC(=O)C1=C(C=CC=C1N)F CDS021736 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.3441 O=C(CBr)C1=C(C=CC=C1F)F PH016145 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.24 COC(=O)C1=CC=CC(=C1C)Cl S312320 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.24 COC(=O)C1=CC=CC(=C1N)F CDS023662 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.24 COC(=O)C1=CC=CC(=C1N)N CDS019676 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.24 COC(=O)C1=CC=CC(=C1O)O PH011302 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.24 O=C(CBr)C1=CC=CC(=C1F)F PH014660 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)C CDS014094 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.440 N=CC1=C(C(=CC=C1)C(=O)O)O S172464 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.511 CC(=O)C1=CC(=CC(=C1O)C)C IDF00002 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PH011662 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.511 CC1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PH009203 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PH011658 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br R161454 [0,2,0,0,0,0|0,0,0]=2 669 B12R1.511 NC1=C(C(=CC(=C1)Cl)C(=O)[O-])Cl S434795 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.511 O=C(O)C1=CC(=CC(=C1F)F)F CDS002688 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.511 O=C(O)C1=CC(=CC(=C1O)F)F CDS022226 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.511 O=[N+]([O-])C1=C(C(=CC(=C1)Br)Br)O S415758 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.893 CC1=C(C(=CC=C1O)[N+](=O)[O-])O S861006 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.893 NC(=O)C1=C(C(=C(C=N1)Cl)Cl)Cl S47415 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.893 O=C(Cl)C1=C(C(=C(C=C1)F)F)F T341576 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.893 O=[N+]([O-])C1=C(C(=C(C=C1)Cl)Cl)O PH000483 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.232 CC1=C(N=C(C(=C1)C(=O)N)Cl)C CBR01585 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,2,0,0,0,0|0,0,0]=2 703 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.1703 CC1=CC(=C(C=C1)/C(=N/O)/C)O L497398 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,2,0,0,0,0|1,0,0]=3 721 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)Br JRD0833 [0,2,0,0,0,0|0,0,0]=2 724 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,2,0,0,0,0|0,0,0]=2 725 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.354 CCC(=O)C1=CC(=CC=C1Cl)Cl OTV000286 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)C PH011114 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)Cl OTV000318 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.354 COC(=O)C1=CC(=CC=C1F)N JRD0943 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.354 N/N=C(\O)/C1=C(C=CC(=C1)F)O JRD1301 [0,2,0,0,0,0|0,0,1]=3 739 B12R1.354 NC1=C(C=C(C=C1)Cl)/C(=N/O)/N PH015515 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,2,0,0,0,0|0,0,0]=2 741 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,2,0,0,0,0|0,0,0]=2 742 B12R1.354 O=C(CBr)C1=C(C=CC(=C1)F)F PH014673 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N EME00443 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.243 CC/C(=N\O)/C1=C(C=CC=C1)O PH004373 [0,2,0,0,0,0|1,0,1]=4 748 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.308 CC1=C(C=CC=C1)C(=O)NC#N R573671 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.308 CC1=CC=CC=C1C(=O)CC#N JRD0744 [0,2,0,0,0,0|1,0,1]=4 751 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl VBP00047 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.308 CCOC(=O)C1=NC=CC=C1O PH009854 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [0,2,0,0,0,0|0,0,0]=2 756 B12R1.308 N#CCC(=O)C1=C(C=CC=C1)F PH005130 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [0,2,0,0,0,0|0,0,0]=2 758 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,0,1,1,0,0|2,0,0]=4 759 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,1,1,0,0|1,0,1]=4 760 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,1,1,0,0|2,0,0]=4 761 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S814792 [0,0,1,1,0,0|1,0,0]=3 762 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S826022 [0,0,1,1,0,0|1,0,0]=3 763 B10R1.66 O=C([O-])/C=C\C1=CC=CO1 S826030 [0,0,1,1,0,0|1,0,0]=3 764 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,0]=3 765 B10R2.320 O=C1NC2C1C=CC=C2 T173932 [1,0,0,1,0,0|0,0,2]=4 766 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|2,0,0]=4 767 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,1,0,1|2,0,0]=4 768 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,0,0,1,0,1|2,0,0]=4 769 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,0,0,1,0,1|2,0,0]=4 770 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,1,0,1|2,0,0]=4 771 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,0,0,1,0,1|1,0,1]=4 772 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,0,0,1,0,1|1,0,1]=4 773 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,1|2,0,0]=4 774 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,1|1,0,0]=3 775 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,0,0,1,0,1|2,0,0]=4 776 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,0,0,1,0,1|2,0,0]=4 777 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,1,0,1|1,1,0]=4 778 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,1,0,1|1,1,0]=4 779 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,0,0,1,0,1|2,0,0]=4 780 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,0,0,1,0,1|0,1,0]=3 781 B12R2.202 NC1=NC2=C(S1)C=CC=C2Br CDS022134 [0,0,0,1,0,1|1,1,0]=4 782 B12R2.202 NC1=NC2=C(S1)C=CC=C2Cl S429481 [0,0,0,1,0,1|1,1,0]=4 783 B12R2.202 NC1=NC2=C(S1)C=CC=C2F CDS006997 [0,0,0,1,0,1|1,1,0]=4 784 B12R2.202 NC1=NC2=C(S1)C=CC=C2I CDS023501 [0,0,0,1,0,1|1,1,0]=4 785 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,0,0,1,0,1|1,0,1]=4 786 B12R2.202 O=C1CC2=C(C=CN=C2N1)Cl CDS023561 [0,0,0,1,0,1|2,0,0]=4 787 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,0,0,1,0,1|2,0,0]=4 788 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,0,0,1,0,1|2,0,0]=4 789 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,1,0,0|1,1,0]=4 794 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|1,0,0]=3 796 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|0,0,0]=2 797 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,1,0,0|1,0,1]=4 798 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,1,0,0|1,1,0]=4 799 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,1,0,0|2,0,0]=4 800 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,1,0,1,0,0|0,0,1]=3 801 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,1,0,0|1,0,1]=4 802 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,1,0,0|0,0,2]=4 803 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,1,0,1,0,0|2,0,0]=4 804 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|1,1,0]=4 805 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [0,1,0,1,0,0|2,0,0]=4 806 B12R2.203 OC1=NOC2=C1C(=CC=C2)F CDS021320 [0,1,0,1,0,0|0,0,2]=4 807 B12R2.196 NC1=NNC2=C(C=CC=C12)Br CDS023799 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.196 NC1=NOC2=C(C=CC=C12)F CDS023613 [0,1,0,1,0,0|1,0,0]=3 809 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,1,0,1,0,0|1,0,1]=4 811 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,1,0,1,0,0|1,0,0]=3 813 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,1,0,1,0,0|1,0,0]=3 815 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,1,0,1,0,0|0,0,2]=4 816 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|1,0,0]=3 817 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,1,0,0|1,0,1]=4 818 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|0,1,0]=3 821 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [0,1,0,1,0,0|1,0,1]=4 822 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,1,0,1,0,0|1,1,0]=4 823 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,1,0,1,0,0|1,1,0]=4 824 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,1,0,1,0,0|1,1,0]=4 826 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,1,0,1,0,0|1,0,0]=3 829 B12R2.18 CN1SC2=C(C1=S)C=CC=C2 S875511 [0,1,0,1,0,0|0,2,0]=4 830 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,1,0,1,0,0|1,0,1]=4 831 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|2,0,0]=4 833 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [1,0,0,0,1,0|2,0,0]=4 834 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|1,0,0]=3 835 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [1,0,0,0,1,0|2,0,0]=4 836 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [1,0,0,0,1,0|2,0,0]=4 837 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [1,0,0,0,1,0|1,1,0]=4 838 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [1,0,0,0,1,0|1,1,0]=4 839 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [1,0,0,0,1,0|1,1,0]=4 840 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [1,0,0,0,1,0|1,1,0]=4 841 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|2,0,0]=4 842 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [1,0,0,0,1,0|2,0,0]=4 843 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,0,0,0,1,0|2,0,0]=4 844 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,0,0,0,1,0|2,0,0]=4 845 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [1,0,0,0,1,0|2,0,0]=4 846 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,0,0,0,0,2|2,0,0]=4 847 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,0,0,0,0,2|2,0,0]=4 848 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [0,0,0,0,0,2|1,1,0]=4 849 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,0,0,0,0,2|1,0,0]=3 850 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,0,0,0,0,2|2,0,0]=4 851 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [0,0,0,0,0,2|2,0,0]=4 852 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,0,0,0,0,2|2,0,0]=4 853 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl T282057 [0,0,0,0,0,2|2,0,0]=4 854 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,0,0,0,0,2|1,0,0]=3 855 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,0,0,0,0,2|0,0,0]=2 856 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,0,0,0,0,2|2,0,0]=4 857 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,0,0,0,0,2|2,0,0]=4 858 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,0,0,0,0,2|2,0,0]=4 859 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,0,0,0,0,2|2,0,0]=4 860 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,0,0,0,0,2|2,0,0]=4 861 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,0,0,0,0,2|2,0,0]=4 862 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,0,0,0,0,2|2,0,0]=4