0 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.30 CC1=CN=C(C(=C1)C#N)Cl ADE000761 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.30 COC1=C(C=NC(=N1)Cl)F CBR01803 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.30 COC1=C(C=NC(=O)N1)F CBR01600 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.30 COC1=NC(=O)NC=C1C T263567 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,0,0,0,0,0|2,1,0]=3 36 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,0,0,0,0,0|1,1,0]=3 73 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.15 CCN1C=CC=CC1=O S683159 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.15 COC1=C(CC=CC1)C S864811 [1,0,0,0,0,0|1,0,2]=4 85 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.15 COC1=CC=NC=C1Br CDS007984 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.15 COC1=NC=CN=C1I SYX00132 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.15 OCC1=CC=CC=N1O S459240 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.15 OCC1=NC=CC=C1O R578177 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,0,0,0,0,0|1,1,0]=3 100 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,0,0,0,0,0|1,0,0]=2 121 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,0,0,0,0,0|1,0,1]=3 125 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,0,0,0,0,0|1,0,0]=2 136 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [1,0,0,0,0,0|2,1,0]=4 142 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.8 CCC1=NC(=CC(=C1O)N)C L211184 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.8 COC1=CC(=CC(=C1N)Br)Cl CDS024289 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.8 OCC1=CC(=CC(=C1O)Cl)Cl S548502 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.37 CCC1=CC(=CC=C1CBr)Br PH016077 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.37 COC1=C(C=CC(=N1)C)C#N PH011165 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.37 COC1=C(N=C(C=C1)Cl)OC ADE000503 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.37 COC1=C(N=C(C=C1)O)OC ADE001430 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.37 COC1=C(N=CC(=C1)I)OC ADE000536 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [0,1,0,0,0,0|0,0,0]=1 185 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.37 COC1=CC(=CN=C1C#N)Br ADE000496 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.37 COC1=CC(=CN=C1C=O)Br ADE000491 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.37 COC1=CC(=CN=C1CO)Br ADE000508 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.37 COC1=CC(=CN=C1OC)Br ADE000471 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.37 COC1=CC(=CN=C1OC)Cl ADE000172 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.37 COC1=CC(=CN=C1OC)O ADE000711 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.37 COC1=CC=C(C=C1NN)Cl CBR00784 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.37 COC1=CC=C(N=C1OC)I ADE000466 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.37 COC1=NC=C(C=C1C#N)C ADE000781 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.37 COC1=NC=C(C=C1C=O)C ADE000766 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.72 CC1=CC=C(C(=C1Cl)CBr)F CDS021694 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.72 CC1=CC=C(C(=C1F)C=O)F CDS001752 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.72 CC1=CC=C(C(=C1F)CBr)F CDS001777 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.72 CC1=CC=C(C(=C1F)CN)F CDS001922 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.72 CCC1=C(C(=CC=C1F)O)Cl PH017290 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.72 CCC1=C(C(=CC=C1O)F)Cl PH017315 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.72 COC1=C(C(=CN=C1Br)I)O ADE000157 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.72 COC1=C(C(=CN=C1Cl)Cl)I ADE000200 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.72 COC1=C(N(C=CC1=O)C)C PH007668 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.167 CC1=CC=C(C(=C1)B(O)O)Cl CDS006317 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.182 CC1=CC=C(C(=C1)N=C=S)C PH011073 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.182 NCCC1=CC(=CC=C1F)F L300276 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.182 NCCC1=CC(=CC=C1N)Cl PH018969 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.182 O/N=C/C1=CC(=CC=C1O)Br PH002075 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.277 COC1=C(C=C(C(=C1)F)F)F R276812 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.277 COC1=CC(=C(N=C1Cl)I)Cl ADE000197 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.277 COC1=CC(=C(N=C1I)I)Br ADE000432 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.277 COC1=CC(=C(N=C1I)I)O ADE000497 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.277 CSC1=C(C=C(C(=C1)Cl)Cl)Cl S943983 [0,1,0,0,0,0|2,1,0]=4 251 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.280 CCC1=CC(=CC=C1N)C#N CDS000771 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.280 COC1=CC(=C(C=C1)Br)CCl PH010839 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.280 COC1=CC(=C(C=C1)Br)CO PH010837 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.280 COC1=CC(=C(C=C1)Cl)CO TMT00626 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.280 COC1=CC(=C(C=C1)F)C#N MNO000003 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.280 COC1=CC(=C(N=C1)I)OC ADE000213 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.280 N#CC1=CC(=CC=C1F)CN PH018726 [0,1,0,0,0,0|3,0,0]=4 263 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,0,0,1,0,0|2,0,1]=4 264 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,0,0,1,0,0|2,0,1]=4 265 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,0,0,1,0,0|2,0,0]=3 266 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [0,0,0,1,0,0|3,0,0]=4 267 B11R2.36 CC1=CC2=N[Se]N=C2C=C1 S418013 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,0,0,1,0,0|3,0,0]=4 269 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,0,0,1,0,0|2,0,1]=4 273 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,0,0,1,0,0|3,0,0]=4 274 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,0,0,1,0,0|3,0,0]=4 275 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,0,0,1,0,0|2,0,0]=3 276 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,0,0,1,0,0|2,0,0]=3 277 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,0,0,1,0,0|1,0,0]=2 278 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,0,0,1,0,0|3,0,0]=4 279 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,0,0,1,0,0|2,0,1]=4 280 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,0,0,1,0,0|3,0,0]=4 281 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [0,0,0,1,0,0|3,0,0]=4 282 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|1,0,1]=4 284 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|1,0,1]=4 285 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|1,0,1]=4 286 B8R1.2 COC1=NC=CC=N1 CDS005079 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|1,1,0]=4 291 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|1,0,1]=4 292 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|1,0,1]=4 294 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.4 OC1=CC=CC(=N1)O S458678 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.5 CC1=CN=CC=C1N CDS003217 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [2,0,0,0,0,0|1,1,0]=4 305 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.5 NC1=CC=CN=C1O CDS007860 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.5 OC1=CN=CC=C1Br CDS021897 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.5 OC1=NC=CC=C1F CDS019950 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|1,0,1]=4 315 B8R1.3 NC1=CC=C(C=C1)F S414190 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.3 NC1=CC=C(C=C1)N S706698 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [2,0,0,0,0,0|1,1,0]=4 319 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.8 CSC1=CC(=[O+]C(=C1)C)C S874264 [1,1,0,0,0,0|1,1,0]=4 338 B10R1.8 CSC1=CC(=[S+]C(=C1)C)C S874256 [1,1,0,0,0,0|1,1,0]=4 339 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|1,1,0]=4 349 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.10 COCC1=CC=CC(=N1)C S352160 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|1,1,0]=4 353 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [1,1,0,0,0,0|0,1,0]=3 377 B10R1.172 N#CC1=CC(=CC=C1)CS OTV000789 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,1,0,0,0,0|0,0,0]=2 394 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,1,0,0,0,0|0,1,0]=3 398 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,1,0,0,0,0|1,1,0]=4 399 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|1,1,0]=4 400 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|0,1,0]=3 407 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|1,1,0]=4 410 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.20 CNC1=CC=CC=C1C#N PH010322 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.20 CNC1=CC=CC=C1CN PH016819 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.20 COC1=CC=CC=C1NN S264407 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.20 COC1=NC=CC=C1C#N CBR01155 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [1,1,0,0,0,0|1,1,0]=4 419 B10R1.20 CSC1=CC=CC=C1CO PH002490 [1,1,0,0,0,0|0,1,0]=3 420 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.25 COC1=C(N=C(N=C1)N)O S108472 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|0,0,0]=2 426 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|0,0,0]=2 427 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 COC1=CN=C(N=C1O)C S217115 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.25 COC1=NC=C(C=C1I)Br ADE000276 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|0,1,0]=3 445 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [1,1,0,0,0,0|0,0,0]=2 501 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.119 OC1=CC=C(C(=C1Cl)F)F PH017343 [1,1,0,0,0,0|2,0,0]=4 520 B12R1.14 COC1=CC(=C(C(=C1Br)Br)C)Br S280151 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.14 COC1=CC(=C(C(=C1Br)C)Br)C S292664 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.234 COC1=C(C(=NC(=C1)C)C)C#N R456500 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.234 COC1=C(C(=NC(=C1)I)Br)OC ADE001319 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.234 COC1=NC(=CC(=C1CN)C)C CBR02358 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.300 C(=O)C1=CC(=CC(=C1O)Br)OC S804304 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [0,2,0,0,0,0|0,0,0]=2 527 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [0,2,0,0,0,0|0,0,0]=2 528 B12R1.300 CSC1=CC(=C(C(=C1)CO)O)C S533793 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.511 CC(=O)C1=CC(=CC(=C1O)C)C IDF00002 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PH011662 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.511 CC1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PH009203 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PH011658 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.705 CCC1=C(C(=CC(=C1Cl)C)O)Cl S349119 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.705 COC1=C(C(=CC(=C1Cl)Cl)Cl)Cl R752088 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.705 COC1=C(N(C=C(C1=O)I)C)Br ADE001348 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.46 COC1=C(C=C(C=C1)Cl)C(C)O PH015455 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.46 COC1=NC=C(C=C1C(=O)C)C ADE000759 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.46 CSC1=C(C=C(C=C1)C)C(=O)C PH014774 [0,2,0,0,0,0|1,1,0]=4 544 B12R1.57 CNC1=C(C=CC(=C1)C)[N+](=O)[O-] PH009432 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)Cl PH016231 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.57 COC1=CC(=CN=C1C(=O)O)Br ADE000556 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.57 COC1=NC(=CC=C1B(O)O)C BCH00015 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.57 COC1=NC(=CC=C1B(O)O)Cl SYX00002 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.57 CSC1=CC(=CC=C1B(O)O)F CDS024274 [0,2,0,0,0,0|1,1,0]=4 551 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [0,2,0,0,0,0|0,0,1]=3 552 B12R1.78 COC1=C(N=C(C=C1)C#N)OC ADE000524 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.78 COC1=C(N=C(C=C1)C=O)OC ADE000507 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.78 COC1=C(N=C(C=C1)CO)OC ADE000517 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.78 COC1=C(N=CC(=C1)C#N)OC ADE000523 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.78 COC1=C(N=CC(=C1)C=O)OC ADE000511 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.78 COC1=C(N=CC(=C1)CO)OC ADE000519 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.78 COC1=CC(=CC=C1C#N)CBr CDS023567 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.78 COC1=CC(=CC=C1CBr)C#N CDS022455 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.78 COC1=CC=C(C(=C1)CCl)OC S808725 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.78 COC1=CC=C(C(=C1)OC)[Hg]Cl S880906 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.78 COC1=CC=C(C(=N1)OC)OC ADE001428 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.112 COC1=CC(=CN=C1/C=N/O)Br ADE000509 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.268 CCOC1=CC(=CC=C1C=O)F CDS002377 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.268 CCOC1=CC(=CC=C1OC)O S330612 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.268 COC1=C(C=C(C=C1)C)NC=O S623261 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.448 COC1=C(C=C(C(=C1)Br)Br)OC S813826 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.448 COC1=C(C=C(C(=C1)Br)I)OC S34569 [0,2,0,0,0,0|1,0,0]=3 569 B12R1.448 COC1=C(C=C(C(=C1)I)I)OC S843970 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC CDS018619 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC CDS019847 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.448 COC1=CC(=C(C=C1CN)F)F CDS022320 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.652 COC1=NC=C(C(=C1OC)I)Cl ADE000201 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.652 COC1=NC=C(C(=C1OC)O)Cl ADE000230 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.98 COC1=C(C(=C(C=C1Br)C)Br)Br S35050 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.98 COC1=C(C=C(C(=C1Br)O)Br)Br S339466 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.98 COC1=C(C=C(C(=C1C)C)N)C PH004606 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.741 COC1=C(C(=CC=C1F)F)C#N MNO000052 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.894 CC(=O)C1=C(C=CC(=C1O)C)O S81532 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)C PH011114 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)Cl OTV000318 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.354 COC(=O)C1=C(N=CC(=C1)C)N CDS022511 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.354 COC(=O)C1=CC(=CC=C1F)N JRD0943 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)C ADE000763 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.453 CC(C)C1=CC(=CC=C1F)CN PH019020 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.127 CC(C)OC1=CC(=CC=C1Br)F CDS023353 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.127 CC1=CC=C(C(=C1)CN(C)C)O PH019553 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.127 CN(C)CC1=C(C=CC(=C1)Cl)O PH002200 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.374 C=CCOC1=CC(=CC=C1C)C PH007948 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.374 CC1=CC(=C(C=C1)C)OCCBr PH000371 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.374 CC1=CC=C(C(=C1)CCNN)C PH019452 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.374 CCCOC1=CC(=CC=C1N)C CDS012021 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.374 CO/N=C\C1=CC(=CC=C1O)Br L170771 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.374 N#CCOC1=CC(=CC=C1Cl)Cl OTV000126 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.449 C(=O)C1=C(C=C(C(=C1)OC)O)Br S107026 [0,2,0,0,0,0|0,0,1]=3 615 B12R1.449 COC1=C(C=C(C(=C1)C#N)Br)O VBP00086 [0,2,0,0,0,0|0,0,1]=3 616 B12R1.449 COC1=CC(=C(C=C1Cl)N)OC S458562 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.449 COC1=CC(=C(C=C1I)Cl)OC S359467 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.449 COC1=CC(=C(C=C1N)C)OC PH008820 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.449 COC1=CC(=C(C=C1N)F)OC MNO000177 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.449 COC1=CC(=C(N=C1I)I)OC ADE000500 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.450 COC1=C(C=C(C(=C1)C)C#N)C S447900 [0,2,0,0,0,0|1,0,0]=3 622 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)F CDS022247 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.450 COC1=CC(=C(C=C1Br)OC)C R166219 [0,2,0,0,0,0|1,0,0]=3 624 B12R1.450 COC1=CC(=C(C=C1Br)SC)C PH001274 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.450 COC1=CC(=C(C=C1O)OC)Br BBO000531 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.450 COC1=CC(=O)C(=CC1=O)OC R164348 [0,2,0,0,0,0|1,0,1]=4 627 B12R1.56 CC(C)C1=CC(=C(C=C1)O)C=O ASX00021 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.56 CNC1=CC(=CC=C1C)C(C)C S893048 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,2,0,0,0,0|0,0,1]=3 630 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.56 COC1=CC(=CC=C1C)B(O)O CDS020070 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.56 COC1=CC(=CC=C1Cl)B(O)O CDS007828 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.56 COC1=CC(=CC=C1F)B(O)O CDS004272 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.56 COC1=CC(=CC=C1I)[N+](=O)[O-] S362824 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.286 CCOC1=CC=C(C(=C1)C=O)O ASX00006 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [0,2,0,0,0,0|0,0,1]=3 640 B12R1.286 COC1=CC(=CC=C1N)SC#N S587141 [0,2,0,0,0,0|1,0,1]=4 641 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [0,2,0,0,0,0|0,0,1]=3 642 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [0,2,0,0,0,0|0,0,1]=3 643 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,0,1,1,0,0|2,0,0]=4 644 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,1,1,0,0|1,0,1]=4 645 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|1,1,0]=4 646 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|2,0,0]=4 647 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.24 BrC1=CN=C2OCCOC2=C1 ADE000018 [0,1,0,1,0,0|2,0,0]=4 649 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.24 ClC1=CN=C2OCCOC2=C1 ADE000042 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.24 IC1=CC=C2OCCOC2=N1 ADE000019 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.24 IC1=CN=C2OCCOC2=C1 ADE000021 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.24 NC1=CC2=C(C=C1)OCOC2 TMT00023 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.24 NC1=CN=C2OCCOC2=C1 ADE000038 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.24 OC1=CC=C2OCCOC2=C1 CBR01871 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.24 OC1=CN=C2OCCOC2=C1 ADE000034 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,1,0,0|2,0,0]=4 660 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O T164534 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.221 OC1=CC=C(C2=C1CCC2)Cl S544752 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.1316 OC1=CC=C(C=C1C2CC2)F PH017223 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,1,0,1,0,0|1,1,0]=4 666 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,1,0,1,0,0|1,0,1]=4 667 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.100 BrC1=CC2=C(C=C1Br)OCO2 S53598 [0,1,0,1,0,0|1,0,0]=3 673 B12R2.100 BrC1=CC2=C(C=C1I)OCO2 S57569 [0,1,0,1,0,0|1,0,0]=3 674 B12R2.100 NC1=C(C=C2OCOC2=C1)Cl PH009814 [0,1,0,1,0,0|1,0,0]=3 675 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [0,1,0,1,0,0|2,0,0]=4 676 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,1,0,1,0,0|0,0,0]=2 677 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.44 NNC1=CC=C2OCOC2=C1 CBR00760 [0,1,0,1,0,0|1,0,0]=3 679 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [1,0,0,0,1,0|1,1,0]=4 681 B12R1.1929 COC1=NC(=CC=CC=C1C)C T174017 [0,0,0,0,0,2|2,0,0]=4