0 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.16 N#CCC(=O)C1=CC=CN=C1 MC425586 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 MC41078 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.15 CC(CN)c1ccccc1 MC110750 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,0,0,0,0,0|0,0,0]=1 25 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.15 NNC(=O)C1=CN=CC=C1 CS19488 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.15 NNC(=O)c1ccncc1 MC445177 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.15 O=C(CBr)C1=NC=CC=N1 MC115988 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.15 O=C(CBr)C1=NC=NC=C1 MC106959 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,0,0,0,0,0|1,0,2]=4 52 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [0,1,0,0,0,0|0,0,0]=1 60 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [0,1,0,0,0,0|0,0,0]=1 61 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 CS12305 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [0,1,0,0,0,0|0,0,0]=1 63 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [0,1,0,0,0,0|0,0,0]=1 64 B12R1.16 CCOC(=O)C1=CC=C(N)N=N1 MC425265 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [0,1,0,0,0,0|0,0,0]=1 66 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 CS12492 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 CS11397 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 CS20898 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 CS12296 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 CS21311 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 CS18817 [0,1,0,0,0,0|1,0,0]=2 72 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 CS19325 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 CS12561 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.16 CCOC(=O)C1=NC=C(Br)N=C1 CS12107 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS14696 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.16 CCOC(=O)C1=NC=C(Cl)N=C1 CS16733 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 MC430639 [0,1,0,0,0,0|1,0,0]=2 78 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 MC425285 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 CS10944 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 MC20625 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 MC106697 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 MC40031 [0,1,0,0,0,0|0,0,0]=1 86 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 MC20736 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 CS14959 [0,1,0,0,0,0|1,0,0]=2 88 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 CS11354 [0,1,0,0,0,0|0,0,0]=1 89 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 MC40025 [0,1,0,0,0,0|0,0,0]=1 90 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS17963 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS11352 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.17 CCOC(=O)C1=CN=CC(Br)=C1 CS22041 [0,1,0,0,0,0|1,0,0]=2 93 B12R1.17 CCOC(=O)C1=CN=CC(F)=C1 MC430707 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.17 CCOC(=O)C1=NC(=O)NC=C1 MC441257 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 CS13935 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.17 CCOC(=O)C1=NC(Br)=NC=C1 MC442162 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 CS15548 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.17 CCOC(=O)C1=NC(Cl)=NC=C1 MC441258 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 CS10611 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 MC441256 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.17 CCOC(=O)C1=NC=CC(N)=N1 CS12503 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 MC442159 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.17 N#CCC(=O)C1=CC(Br)=CC=C1 MC40793 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 CS21429 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.17 N#CCC(=O)C1=CC(F)=CC=C1 MC429587 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.30 O=C(C#CCO)C1=CC=CC=C1 MC111021 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.30 O=C(NCCO)C1=CN=CC=C1 CS11709 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [0,1,0,0,0,0|0,0,0]=1 110 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,1,0,0,0,0|1,0,1]=3 112 B12R1.107 O=C(O[Au](Cl)Cl)c1ccccn1 MC10751 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 MC20829 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 CS21405 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.308 CCOC(=O)C1=C(C)C=CN=N1 MC104552 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 MC104788 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS20897 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [0,1,0,0,0,0|0,0,0]=1 123 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 CS13612 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 MC100279 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [0,1,0,0,0,0|0,0,0]=1 126 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl CS18275 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl CS18296 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.308 CCOC(=O)C1=CN=CN=C1N MC444489 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.308 CCOC(=O)C1=CN=CN=C1O CS18328 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.308 CCOC(=O)C1=CN=CNC1=O CS17889 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.308 CCOC(=O)C1=CN=NC=C1C MC104021 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.308 CCOC(=O)C1=NC=CC=C1F MC432518 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.308 CCOC(=O)C1=NC=CC=C1N CS22110 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl MC444493 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.308 CCOC(=O)C1=NC=NC=C1Br CS13681 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.308 N#CCC(=O)C1=C(Cl)C=CC=C1 CS21428 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.308 N#CCC(=O)C1=C(F)C=CC=C1 MC433794 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 MC429389 [0,1,0,0,0,0|2,0,0]=3 139 B12R2.2 C1=CC(C2=NCCC2)=CC=N1 MC425128 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 MC114862 [0,0,0,1,0,0|1,0,2]=4 141 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 CS10486 [0,0,0,1,0,0|2,0,1]=4 142 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 CS12838 [0,0,0,1,0,0|1,0,2]=4 143 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [0,0,0,1,0,0|2,0,1]=4 144 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [0,0,0,1,0,0|2,0,1]=4 145 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [0,0,0,1,0,0|2,0,1]=4 146 B12R2.2 C1=CN=C(C2=NCCN2)C=C1 CS15731 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS20790 [0,0,0,1,0,0|2,0,1]=4 148 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [0,0,0,1,0,0|2,0,1]=4 149 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [0,0,0,1,0,0|2,0,1]=4 150 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [0,0,0,1,0,0|2,0,1]=4 151 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CS15452 [0,0,0,1,0,0|2,0,1]=4 152 B12R2.1081 O=C1C=NNC2=CC=CC=C12 CS20704 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS18351 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS16479 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS18873 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS15049 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,0,0,1,0,0|1,0,0]=2 158 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [0,0,0,1,0,0|2,0,0]=3 159 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [0,0,0,1,0,0|2,0,0]=3 161 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [0,0,0,1,0,0|2,0,0]=3 162 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [0,0,0,1,0,0|1,0,0]=2 163 B12R2.1081 O=C1NCCC2=CC=NC=C12 MC104301 [0,0,0,1,0,0|2,0,0]=3 164 B12R2.1081 O=C1NN=CC2=CC=CC=C12 CS19825 [0,0,0,1,0,0|2,0,1]=4 165 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 MC20712 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [0,0,0,1,0,0|0,0,0]=1 167 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 MC441090 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,0,0,1,0,0|2,0,0]=3 169 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 MC41774 [0,0,0,1,0,0|2,0,1]=4 170 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [0,0,0,1,0,0|1,0,1]=3 171 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CS15659 [0,0,0,1,0,0|2,0,1]=4 172 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [0,0,0,1,0,0|2,0,0]=3 173 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 CS11876 [0,0,0,1,0,0|2,0,1]=4 174 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [0,0,0,0,1,0|1,0,0]=2 175 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [0,0,0,0,1,0|1,0,0]=2 176 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [0,0,0,0,1,0|1,0,0]=2 177 B10R1.11 CCOC(=O)C1=CN=CO1 CS17742 [0,0,0,0,1,0|2,0,0]=3 178 B10R1.11 CCOC(=O)C1=CN=CS1 CS11320 [0,0,0,0,1,0|2,0,0]=3 179 B10R1.11 CCOC(=O)C1=CN=NS1 MC105773 [0,0,0,0,1,0|3,0,0]=4 180 B10R1.11 CCOC(=O)C1=CNC=C1 MC115913 [0,0,0,0,1,0|1,0,0]=2 181 B10R1.11 CCOC(=O)C1=CNC=N1 CS18895 [0,0,0,0,1,0|2,0,0]=3 182 B10R1.11 CCOC(=O)C1=CNN=C1 CS10111 [0,0,0,0,1,0|2,0,0]=3 183 B10R1.11 CCOC(=O)C1=CNN=N1 CS20694 [0,0,0,0,1,0|3,0,0]=4 184 B10R1.11 CCOC(=O)C1=COC=N1 CS18179 [0,0,0,0,1,0|2,0,0]=3 185 B10R1.11 CCOC(=O)C1=CSC=C1 CS10526 [0,0,0,0,1,0|1,0,0]=2 186 B10R1.11 CCOC(=O)C1=NC=CN1 CS18245 [0,0,0,0,1,0|2,0,0]=3 187 B10R1.11 CCOC(=O)C1=NC=NS1 MC106084 [0,0,0,0,1,0|3,0,0]=4 188 B10R1.11 CCOC(=O)C1=NNC=C1 CS20723 [0,0,0,0,1,0|2,0,0]=3 189 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,0,0,0,0,1|1,1,0]=3 190 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [0,0,0,0,0,1|1,0,0]=2 191 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS12227 [0,0,0,0,0,1|2,0,0]=3 192 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 MC40795 [0,0,0,0,0,1|2,0,1]=4 193 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [1,0,1,0,0,0|0,0,1]=3 194 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [2,0,0,0,0,0|1,0,1]=4 196 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [2,0,0,0,0,0|0,0,0]=2 197 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [2,0,0,0,0,0|1,0,1]=4 207 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [2,0,0,0,0,0|1,0,1]=4 208 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [2,0,0,0,0,0|1,0,1]=4 209 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [2,0,0,0,0,0|0,0,2]=4 210 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [2,0,0,0,0,0|1,1,0]=4 217 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [2,0,0,0,0,0|0,0,0]=2 220 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [2,0,0,0,0,0|1,0,1]=4 229 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [2,0,0,0,0,0|1,0,1]=4 230 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [2,0,0,0,0,0|1,0,1]=4 231 B9R1.8 CCCC1=CC=CN=C1 CS22402 [2,0,0,0,0,0|1,0,1]=4 232 B9R1.8 CCNC1=CC=CC=C1 MC40913 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.8 CCOC1=NC=CC=C1 CS18732 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.8 CCOC1=NC=CN=C1 CS21524 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.8 CNCC1=CC=CC=C1 MC10559 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.8 CNCC1=CC=CC=C1 MC20323 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.8 CNCC1=CC=CC=C1 MC21006 [2,0,0,0,0,0|1,0,1]=4 238 B9R1.8 COCC1=NC=CC=C1 CS20909 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [2,0,0,0,0,0|1,0,1]=4 240 B9R1.8 FCCC1=CC=CC=C1 MC41557 [2,0,0,0,0,0|1,0,1]=4 241 B9R1.8 NCCC1=CC=CC=C1 MC40983 [2,0,0,0,0,0|1,0,1]=4 242 B9R1.8 NOCC1=CC=CC=C1 CS14063 [2,0,0,0,0,0|1,0,1]=4 243 B9R1.8 O=COC1=CC=CC=C1 MC40136 [2,0,0,0,0,0|1,0,1]=4 244 B9R1.8 OCCC1=CC=CC=C1 MC40745 [2,0,0,0,0,0|1,0,1]=4 245 B11R1.12 CCP(CC)c1ccccc1 MC444851 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.12 COC(OC)c1ccccc1 CS10959 [1,1,0,0,0,0|0,0,2]=4 247 B11R1.12 COP(OC)C1=CC=CC=C1 MC444856 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.22 CC1=CC=C(C(=O)CBr)C=N1 MC431197 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [1,1,0,0,0,0|0,0,0]=2 250 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [1,1,0,0,0,0|0,0,0]=2 253 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [1,1,0,0,0,0|0,0,0]=2 254 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 MC33519 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [1,1,0,0,0,0|0,0,0]=2 257 B11R1.22 COC(=O)C1=CC=C(Br)N=N1 CS15397 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [1,1,0,0,0,0|0,0,0]=2 259 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 CS11663 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [1,1,0,0,0,0|0,0,0]=2 261 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [1,1,0,0,0,0|0,0,0]=2 262 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [1,1,0,0,0,0|0,0,0]=2 263 B11R1.22 COC(=O)C1=CC=C(N)N=N1 MC444521 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [1,1,0,0,0,0|0,0,0]=2 265 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 MC442840 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 CS11603 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS12441 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.22 COC(=O)C1=CNC(=O)N=C1 MC443636 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS12346 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS11655 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS14158 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC103762 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC115672 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.22 COC(=O)C1=NC=C(N)N=C1 MC444546 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.22 COC(=O)C1=NNC(=O)C=C1 CS13480 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 MC33165 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 MC41002 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 MC41004 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 MC41003 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 CS15989 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 MC427408 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 CS20192 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 CS18120 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [1,1,0,0,0,0|0,0,0]=2 307 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [1,1,0,0,0,0|0,0,0]=2 309 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [1,1,0,0,0,0|0,0,0]=2 310 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS18168 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.23 COC(=O)C1=CC(=O)NC=C1 CS11585 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [1,1,0,0,0,0|0,0,0]=2 313 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [1,1,0,0,0,0|0,0,0]=2 314 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [1,1,0,0,0,0|0,0,0]=2 315 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 CS18382 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [1,1,0,0,0,0|0,0,0]=2 317 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.23 COC(=O)C1=CC(N)=NC=C1 CS19528 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.23 COC(=O)C1=CC(N)=NC=C1 MC442551 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [1,1,0,0,0,0|0,0,0]=2 322 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [1,1,0,0,0,0|0,0,0]=2 323 B11R1.23 COC(=O)C1=CC(S)=NC=C1 MC430617 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.23 COC(=O)C1=CC=CC(=O)N1 CS15010 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 CS10403 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.23 COC(=O)C1=CN=CC(N)=C1 CS18261 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.23 COC(=O)C1=CN=CC(O)=C1 CS11658 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.23 COC(=O)C1=CN=NC(Cl)=C1 CS12304 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS18917 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 CS12870 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.23 COC(=O)C1=NC(Br)=NC=C1 CS15709 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS12275 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.23 COC(=O)C1=NC(C)=NC=C1 CS15096 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 CS10671 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 CS12231 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 CS12287 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS10610 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.23 COC(=O)C1=NC(N)=NC=C1 CS15550 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS18223 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.23 COC(=O)C1=NC=CC(Br)=N1 MC431545 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS14005 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 MC431559 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.23 COC(=O)C1=NC=CC(F)=C1 MC430081 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 MC429588 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 MC431210 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 MC20584 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [1,1,0,0,0,0|0,0,0]=2 357 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 MC429968 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.36 O=C(C1=NC=CC=C1)C(F)F MC442749 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [1,1,0,0,0,0|0,0,0]=2 360 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [1,1,0,0,0,0|0,0,0]=2 361 B11R1.222 CCC(=O)C1=CC=CN=C1N MC429975 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.222 CCC(C)C1=C(N)C=CC=C1 CS21765 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.222 CCC(N)C1=C(C)C=CC=C1 CS14530 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [1,1,0,0,0,0|0,0,0]=2 367 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 CS22176 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.222 COC(=O)C1=C(C)C=NC=C1 MC121213 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.222 COC(=O)C1=C(C)N=CC=C1 CS21004 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS20210 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [1,1,0,0,0,0|0,0,0]=2 372 B11R1.222 COC(=O)C1=C(F)N=CC=C1 CS14405 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [1,1,0,0,0,0|0,0,0]=2 374 B11R1.222 COC(=O)C1=C(I)C=NC=C1 CS22331 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [1,1,0,0,0,0|0,0,0]=2 376 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CS11627 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [1,1,0,0,0,0|0,0,0]=2 378 B11R1.222 COC(=O)C1=CC=CN=C1N CS18010 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.222 COC(=O)C1=CC=NNC1=O MC104814 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.222 COC(=O)C1=CN=CC=C1C CS11648 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.222 COC(=O)C1=CN=CC=C1Cl CS15530 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.222 COC(=O)C1=CN=CC=C1Cl MC425389 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.222 COC(=O)C1=CN=CC=C1N CS18774 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.222 COC(=O)C1=CN=CN=C1N CS12825 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.222 COC(=O)C1=CN=CNC1=O CS19080 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.222 COC(=O)C1=CN=NC=C1C MC102128 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.222 COC(=O)C1=NC=CC=C1Br CS12168 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.222 COC(=O)C1=NC=CC=C1F CS19566 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.222 COC(=O)C1=NC=CC=C1I MC431997 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.222 COC(=O)C1=NC=CC=C1N CS22111 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.222 COC(=O)C1=NC=CN=C1Br CS12415 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.222 COC(=O)C1=NC=CN=C1Cl CS18208 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.222 COC(=O)C1=NC=CN=C1I MC103283 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.222 COC(=O)C1=NC=CN=C1N CS21912 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.222 COC(=O)C1=NC=CN=C1O CS11607 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.222 COC(=O)C1=NC=NC=C1Br CS12520 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 MC429401 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 CS14555 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 CS11942 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [1,1,0,0,0,0|0,0,1]=3 404 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,1,0,0,0,0|0,0,1]=3 407 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [1,1,0,0,0,0|0,0,2]=4 408 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 MC116079 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,1,0,0,0,0|0,0,1]=3 411 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [1,1,0,0,0,0|0,0,2]=4 412 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,1,0,0,0,0|0,0,1]=3 414 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 CS17805 [0,1,0,0,1,0|2,0,0]=4 416 B11R1.15 CCOC(=O)C1=CC(C)=CN1 MC41683 [0,1,0,0,1,0|1,0,0]=3 417 B11R1.15 CCOC(=O)C1=CC(C)=NN1 CS16214 [0,1,0,0,1,0|2,0,0]=4 418 B11R1.15 CCOC(=O)C1=CC(C)=NO1 MC41681 [0,1,0,0,1,0|2,0,0]=4 419 B11R1.15 CCOC(=O)C1=CC(N)=CN1 CS22540 [0,1,0,0,1,0|1,0,0]=3 420 B11R1.15 CCOC(=O)C1=CC(N)=NO1 MC107297 [0,1,0,0,1,0|2,0,0]=4 421 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 MC441009 [0,1,0,0,1,0|1,0,0]=3 422 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 CS12128 [0,1,0,0,1,0|1,0,0]=3 423 B11R1.15 CCOC(=O)C1=CC=C(C)N1 CS10437 [0,1,0,0,1,0|1,0,0]=3 424 B11R1.15 CCOC(=O)C1=CC=C(N)N1 CS15649 [0,1,0,0,1,0|1,0,0]=3 425 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 CS19262 [0,1,0,0,1,0|2,0,0]=4 426 B11R1.15 CCOC(=O)C1=CN=C(Cl)S1 CS11339 [0,1,0,0,1,0|2,0,0]=4 427 B11R1.15 CCOC(=O)C1=CN=C(N)N1 CS13818 [0,1,0,0,1,0|2,0,0]=4 428 B11R1.15 CCOC(=O)C1=CN=C(N)S1 CS19535 [0,1,0,0,1,0|2,0,0]=4 429 B11R1.15 CCOC(=O)C1=COC(Br)=N1 CS12176 [0,1,0,0,1,0|2,0,0]=4 430 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 MC427383 [0,1,0,0,1,0|2,0,0]=4 431 B11R1.15 CCOC(=O)C1=COC(I)=N1 CS17606 [0,1,0,0,1,0|2,0,0]=4 432 B11R1.15 CCOC(=O)C1=COC(N)=N1 CS18060 [0,1,0,0,1,0|2,0,0]=4 433 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 CS14895 [0,1,0,0,1,0|1,0,0]=3 434 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 CS11334 [0,1,0,0,1,0|2,0,0]=4 435 B11R1.15 CCOC(=O)C1=CSC(C)=N1 CS20415 [0,1,0,0,1,0|2,0,0]=4 436 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 CS12667 [0,1,0,0,1,0|2,0,0]=4 437 B11R1.15 CCOC(=O)C1=CSC(F)=N1 MC425793 [0,1,0,0,1,0|2,0,0]=4 438 B11R1.15 CCOC(=O)C1=CSC(N)=N1 CS10112 [0,1,0,0,1,0|2,0,0]=4 439 B11R1.15 CCOC(=O)C1=NC=C(Br)N1 MC115985 [0,1,0,0,1,0|2,0,0]=4 440 B11R1.15 CCOC(=O)C1=NC=C(Br)S1 MC428242 [0,1,0,0,1,0|2,0,0]=4 441 B11R1.15 CCOC(=O)C1=NN(C)C=C1 CS15596 [0,1,0,0,1,0|2,0,0]=4 442 B11R1.15 CCOC(=O)C1=NNC(C)=C1 CS19586 [0,1,0,0,1,0|2,0,0]=4 443 B11R1.15 CCOC(=O)C1=NNC(F)=C1 MC431096 [0,1,0,0,1,0|2,0,0]=4 444 B11R1.199 CCOC(=O)C1=C(Br)N=CO1 CS15691 [0,1,0,0,1,0|2,0,0]=4 445 B11R1.199 CCOC(=O)C1=C(Br)N=CS1 MC113272 [0,1,0,0,1,0|2,0,0]=4 446 B11R1.199 CCOC(=O)C1=C(Br)SC=N1 CS11371 [0,1,0,0,1,0|2,0,0]=4 447 B11R1.199 CCOC(=O)C1=C(C)C=CN1 CS12952 [0,1,0,0,1,0|1,0,0]=3 448 B11R1.199 CCOC(=O)C1=C(C)N=CO1 CS18854 [0,1,0,0,1,0|2,0,0]=4 449 B11R1.199 CCOC(=O)C1=C(C)NC=C1 CS21661 [0,1,0,0,1,0|1,0,0]=3 450 B11R1.199 CCOC(=O)C1=C(C)NC=N1 CS14683 [0,1,0,0,1,0|2,0,0]=4 451 B11R1.199 CCOC(=O)C1=C(C)SC=C1 CS14520 [0,1,0,0,1,0|1,0,0]=3 452 B11R1.199 CCOC(=O)C1=C(C)SC=N1 MC20937 [0,1,0,0,1,0|2,0,0]=4 453 B11R1.199 CCOC(=O)C1=C(Cl)N=CS1 MC106731 [0,1,0,0,1,0|2,0,0]=4 454 B11R1.199 CCOC(=O)C1=C(Cl)NN=C1 CS15592 [0,1,0,0,1,0|2,0,0]=4 455 B11R1.199 CCOC(=O)C1=C(Cl)SC=N1 CS16666 [0,1,0,0,1,0|2,0,0]=4 456 B11R1.199 CCOC(=O)C1=C(F)NC=N1 MC430952 [0,1,0,0,1,0|2,0,0]=4 457 B11R1.199 CCOC(=O)C1=C(I)N=CO1 MC107020 [0,1,0,0,1,0|2,0,0]=4 458 B11R1.199 CCOC(=O)C1=C(I)SC=N1 MC442180 [0,1,0,0,1,0|2,0,0]=4 459 B11R1.199 CCOC(=O)C1=C(N)C=CN1 CS12318 [0,1,0,0,1,0|1,0,0]=3 460 B11R1.199 CCOC(=O)C1=C(N)C=CN1 CS14038 [0,1,0,0,1,0|1,0,0]=3 461 B11R1.199 CCOC(=O)C1=C(N)N=CS1 MC106730 [0,1,0,0,1,0|2,0,0]=4 462 B11R1.199 CCOC(=O)C1=CC=CN1N MC106600 [0,1,0,0,1,0|1,0,0]=3 463 B11R1.199 CCOC(=O)C1=CNN=C1N CS19555 [0,1,0,0,1,0|2,0,0]=4 464 B11R1.199 CCOC(=O)C1=CON=C1C CS18140 [0,1,0,0,1,0|2,0,0]=4 465 B11R1.199 CCOC(=O)C1=NC=CN1C CS11324 [0,1,0,0,1,0|2,0,0]=4 466 B11R1.199 CCOC(=O)C1=NNC=C1Br MC443495 [0,1,0,0,1,0|2,0,0]=4 467 B11R1.199 CCOC(=O)C1=NNC=C1C CS15101 [0,1,0,0,1,0|2,0,0]=4 468 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 CS13678 [0,1,0,0,0,1|0,0,0]=2 469 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 MC40045 [0,1,0,0,0,1|0,0,0]=2 470 B13R1.19 CCOC(=O)CC1=CC=C(C)N=C1 MC107448 [0,1,0,0,0,1|1,0,0]=3 471 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 CS11364 [0,1,0,0,0,1|0,0,0]=2 472 B13R1.19 CCOC(=O)CC1=CC=C(Cl)N=N1 MC104034 [0,1,0,0,0,1|2,0,0]=4 473 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 CS12592 [0,1,0,0,0,1|0,0,0]=2 474 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=N1 CS19726 [0,1,0,0,0,1|2,0,0]=4 475 B13R1.19 CCOC(=O)CC1=NC=C(F)C=C1 MC430659 [0,1,0,0,0,1|1,0,0]=3 476 B13R1.19 CCOC(=O)CC1=NC=C(F)C=N1 CS16842 [0,1,0,0,0,1|2,0,0]=4 477 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 MC104031 [0,1,0,0,0,1|1,0,0]=3 478 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 MC101950 [0,1,0,0,0,1|1,0,0]=3 479 B13R1.20 CCOC(=O)CC1=CC(Br)=CC=C1 CS12283 [0,1,0,0,0,1|0,0,0]=2 480 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 MC115671 [0,1,0,0,0,1|1,0,0]=3 481 B13R1.20 CCOC(=O)CC1=CC(N)=CC=C1 CS17331 [0,1,0,0,0,1|0,0,0]=2 482 B13R1.20 CCOC(=O)CC1=NC(Cl)=CC=C1 MC106442 [0,1,0,0,0,1|1,0,0]=3 483 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 MC107123 [0,1,0,0,0,1|1,0,0]=3 484 B13R1.20 CCOC(=O)CC1=NC=NC(C)=C1 MC104703 [0,1,0,0,0,1|2,0,0]=4 485 B13R1.20 O=C(CCCl)NC1=CC(O)=CC=C1 MC425496 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 MC425900 [0,1,0,0,0,1|0,0,0]=2 487 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 MC105176 [0,1,0,0,0,1|1,0,0]=3 488 B13R1.47 CCOC(=O)C(N)c1ccccc1 MC438107 [0,1,0,0,0,1|0,0,0]=2 489 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 MC20544 [0,1,0,0,0,1|0,0,0]=2 490 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=C1 CS17651 [0,1,0,0,0,1|0,0,0]=2 491 B13R1.470 CCOC(=O)CC1=CC=CN=C1F MC429653 [0,1,0,0,0,1|1,0,0]=3 492 B13R1.470 CCOC(=O)CC1=NC=CC=C1O MC104308 [0,1,0,0,0,1|1,0,0]=3 493 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 CS22799 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.17 NCCNC(=O)C1=NC=C(Cl)C=C1 MC34142 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.17 NCCNC(=O)C1=NC=C(Cl)C=C1 MC34143 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 MC21005 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.21 CNC(C)C(=O)C1=CC=C(C)C=C1 MC426128 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.21 CON(C)C(=O)C1=CC=C(Br)C=C1 MC41010 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.21 CON(C)C(=O)C1=CC=C(F)C=C1 MC433804 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.29 CC1=CC=C(S(=O)(=O)OCF)C=C1 MC429325 [0,2,0,0,0,0|2,0,0]=4 501 B13R1.29 CCOS(=O)(=O)C1=CC=C(C)C=C1 MC445525 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.132 CC(C)CC(=O)C1=CC=C(Cl)N=C1 MC112245 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.132 CC(C)OC(=O)C1=CC=C(Cl)N=N1 CS22403 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.132 CC(C)OC(=O)C1=CN=C(N)C=C1 MC431367 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.452 CCOC(=O)C1=CC=C(C#N)C=C1 CS15724 [0,2,0,0,0,0|0,0,0]=2 506 B13R1.452 CCOC(=O)C1=CN=C(C=O)C=C1 CS15060 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.452 CCOC(=O)C1=CN=C(CBr)C=C1 CS13320 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.452 CCOC(=O)C1=CN=C(CO)C=C1 CS16826 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.466 CCOC(=O)C1=CC(=O)N(C)N=C1 MC116438 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.466 CCOC(=O)C1=CC(Br)=C(N)C=C1 CS18437 [0,2,0,0,0,0|0,0,0]=2 511 B13R1.466 CCOC(=O)C1=CC(Cl)=C(F)C=C1 MC40033 [0,2,0,0,0,0|0,0,0]=2 512 B13R1.466 CCOC(=O)C1=CC(F)=C(N)C=C1 CS12761 [0,2,0,0,0,0|0,0,0]=2 513 B13R1.466 CCOC(=O)C1=CC(N)=C(C)C=C1 CS12913 [0,2,0,0,0,0|0,0,0]=2 514 B13R1.466 CCOC(=O)C1=CC(N)=C(F)C=C1 CS21053 [0,2,0,0,0,0|0,0,0]=2 515 B13R1.466 CCOC(=O)C1=CC(N)=C(N)C=C1 MC40037 [0,2,0,0,0,0|0,0,0]=2 516 B13R1.466 CCOC(=O)C1=CC(O)=C(Br)C=C1 MC443174 [0,2,0,0,0,0|0,0,0]=2 517 B13R1.466 CCOC(=O)C1=CC(O)=C(O)C=C1 CS10893 [0,2,0,0,0,0|0,0,0]=2 518 B13R1.466 CCOC(=O)C1=CN=C(Cl)C(O)=C1 MC429676 [0,2,0,0,0,0|1,0,0]=3 519 B13R1.466 CCOC(=O)C1=CN=C(N)C(Br)=C1 MC443379 [0,2,0,0,0,0|1,0,0]=3 520 B13R1.466 CCOC(=O)C1=NC(Cl)=C(Br)C=C1 MC431571 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.466 CCOC(=O)C1=NC=C(C)C(Br)=C1 MC432005 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.466 CCOC(=O)C1=NC=C(C)C(Cl)=C1 MC431758 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.466 CCOC(=O)C1=NC=C(Cl)C(Cl)=N1 MC110051 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)C=C1 MC431989 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.1511 CCOC(=O)C1=C(C)N=C(O)C=C1 MC106606 [0,2,0,0,0,0|1,0,0]=3 526 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=N1 MC427468 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.1511 CCOC(=O)C1=C(F)C=C(Br)C=C1 MC433606 [0,2,0,0,0,0|0,0,0]=2 528 B13R1.1511 CCOC(=O)C1=C(F)C=C(C)C=C1 MC433687 [0,2,0,0,0,0|0,0,0]=2 529 B13R1.1511 CCOC(=O)C1=C(F)C=C(F)C=C1 CS21580 [0,2,0,0,0,0|0,0,0]=2 530 B13R1.1511 CCOC(=O)C1=C(N)C=C(F)C=C1 CS11329 [0,2,0,0,0,0|0,0,0]=2 531 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)N=N1 MC427155 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.1511 CCOC(=O)C1=CN=C(Br)N=C1C MC111863 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.1511 CCOC(=O)C1=CN=C(C)N=C1O CS10545 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1Cl CS19050 [0,2,0,0,0,0|1,0,0]=3 535 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1N CS14671 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1C CS13192 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1Cl CS11327 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1N CS13098 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1F MC429611 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.1511 CCOC(=O)C1=NC=C(C)C=C1C MC111084 [0,2,0,0,0,0|1,0,0]=3 541 B13R1.1511 CCOC(=O)C1=NC=C(Cl)C=C1N CS16707 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.1511 CCOC(=O)C1=NC=C(F)C=C1F MC430767 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.12 CCOC(=O)C1=C(C)C(C)=NC=C1 MC429661 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.12 CCOC(=O)C1=C(C)C(Cl)=NC=C1 CS21435 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.12 CCOC(=O)C1=C(F)C(Cl)=CC=C1 CS16744 [0,2,0,0,0,0|0,0,0]=2 546 B13R1.12 CCOC(=O)C1=C(I)C(Cl)=NC=C1 MC111635 [0,2,0,0,0,0|1,0,0]=3 547 B13R1.12 CCOC(=O)C1=NC=CC(Cl)=C1C MC430267 [0,2,0,0,0,0|1,0,0]=3 548 B13R1.12 CCOC(=O)C1=NC=NC(Cl)=C1Br MC103913 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.12 CCOC(=O)C1=NC=NC(Cl)=C1Cl MC442307 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.147 CC(C)CC(=O)C1=CC(Cl)=CC=C1 MC112093 [0,2,0,0,0,0|1,0,0]=3 551 B13R1.147 CC(C)CC(=O)C1=CC(F)=CC=C1 MC112094 [0,2,0,0,0,0|1,0,0]=3 552 B13R1.446 CCOC(=O)C1=C(Br)C=CC(I)=C1 MC433608 [0,2,0,0,0,0|0,0,0]=2 553 B13R1.446 CCOC(=O)C1=C(C)N=CC(Br)=C1 CS13356 [0,2,0,0,0,0|1,0,0]=3 554 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(Cl)=C1 MC433646 [0,2,0,0,0,0|0,0,0]=2 555 B13R1.446 CCOC(=O)C1=C(Cl)N=CC(N)=C1 MC430595 [0,2,0,0,0,0|1,0,0]=3 556 B13R1.446 CCOC(=O)C1=C(F)C=CC(O)=C1 MC429614 [0,2,0,0,0,0|0,0,0]=2 557 B13R1.446 CCOC(=O)C1=C(N)C=CC(C)=C1 CS11330 [0,2,0,0,0,0|0,0,0]=2 558 B13R1.446 CCOC(=O)C1=C(N)N=CC(Br)=C1 MC445148 [0,2,0,0,0,0|1,0,0]=3 559 B13R1.446 CCOC(=O)C1=C(N)N=CC(Cl)=C1 MC445149 [0,2,0,0,0,0|1,0,0]=3 560 B13R1.446 CCOC(=O)C1=C(O)N=NC(Cl)=C1 CS14736 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.446 CCOC(=O)C1=CC(Br)=NC=C1N CS17655 [0,2,0,0,0,0|1,0,0]=3 562 B13R1.446 CCOC(=O)C1=CC(Cl)=NC=C1Br CS16144 [0,2,0,0,0,0|1,0,0]=3 563 B13R1.446 CCOC(=O)C1=CC(Cl)=NC=C1N MC431925 [0,2,0,0,0,0|1,0,0]=3 564 B13R1.446 CCOC(=O)C1=CC(N)=NC=C1Br MC110925 [0,2,0,0,0,0|1,0,0]=3 565 B13R1.446 CCOC(=O)C1=NC(C)=CC=C1N MC103686 [0,2,0,0,0,0|1,0,0]=3 566 B13R1.446 CCOC(=O)C1=NC(Cl)=CC=C1Br CS16236 [0,2,0,0,0,0|1,0,0]=3 567 B13R1.446 CCOC(=O)C1=NC(Cl)=CC=C1N MC103685 [0,2,0,0,0,0|1,0,0]=3 568 B13R1.446 CCOC(=O)C1=NC(Cl)=NC=C1N CS15643 [0,2,0,0,0,0|2,0,0]=4 569 B13R1.450 CCOC(=O)C1=CC(Br)=CC(Cl)=C1 MC425614 [0,2,0,0,0,0|0,0,0]=2 570 B13R1.450 CCOC(=O)C1=CC(Cl)=NC(Cl)=C1 MC41616 [0,2,0,0,0,0|1,0,0]=3 571 B13R1.450 CCOC(=O)C1=CC(O)=CC(O)=C1 MC433662 [0,2,0,0,0,0|0,0,0]=2 572 B13R1.450 CCOC(=O)C1=NC(C)=NC(Cl)=C1 MC443541 [0,2,0,0,0,0|2,0,0]=4 573 B13R1.450 CCOC(=O)C1=NC(Cl)=CC(C)=C1 CS13090 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.450 CCOC(=O)C1=NC(Cl)=CC(Cl)=C1 CS12706 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.460 CCOC(=O)C1=CC(C=O)=NC=C1 CS16860 [0,2,0,0,0,0|1,0,0]=3 576 B13R1.460 CCOC(=O)C1=CC(CCl)=CC=C1 MC40035 [0,2,0,0,0,0|0,0,0]=2 577 B13R1.460 CCOC(=O)C1=CC(CN)=NC=C1 CS12944 [0,2,0,0,0,0|1,0,0]=3 578 B13R1.460 CCOC(=O)C1=NC(C=O)=CC=C1 MC106603 [0,2,0,0,0,0|1,0,0]=3 579 B13R1.460 CCOC(=O)C1=NC(CN)=CC=C1 MC110933 [0,2,0,0,0,0|1,0,0]=3 580 B13R1.460 CCOC(=O)C1=NC(SC)=NC=C1 CS16748 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 MC21065 [0,2,0,0,0,0|0,0,0]=2 582 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 MC40017 [0,2,0,0,0,0|0,0,0]=2 583 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 MC111368 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 CS14046 [0,2,0,0,0,0|1,0,0]=3 585 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 MC31215 [0,2,0,0,0,0|1,0,0]=3 586 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS22116 [0,2,0,0,0,0|1,0,1]=4 587 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MC439497 [0,2,0,0,0,0|1,0,1]=4 588 B13R1.45 O=C(O)CNC(=O)c1ccccc1 MC34005 [0,2,0,0,0,0|1,0,1]=4 589 B13R1.201 CC(C)OC(=O)C1=C(N)C=CC=C1 CS10027 [0,2,0,0,0,0|0,0,0]=2 590 B13R1.352 O=C(CC(F)(F)F)C1=CC=CC=C1 MC433251 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=C1 CS13482 [0,2,0,0,0,0|0,0,0]=2 592 B13R1.464 CCOC(=O)C1=C(CCl)N=CC=C1 MC429152 [0,2,0,0,0,0|1,0,0]=3 593 B13R1.464 CCOC(=O)C1=C(NC)C=CC=C1 CS15043 [0,2,0,0,0,0|0,0,0]=2 594 B13R1.464 CCOC(=O)C1=NC=CC=C1C#N MC33477 [0,2,0,0,0,0|1,0,0]=3 595 B13R1.464 CCOC(=O)C1=NC=CC=C1CBr MC106059 [0,2,0,0,0,0|1,0,0]=3 596 B13R1.4453 CCOC(=O)C1=C(Br)C=CC=C1F MC40030 [0,2,0,0,0,0|0,0,0]=2 597 B13R1.4453 CCOC(=O)C1=C(Br)N=CC=C1Cl MC432346 [0,2,0,0,0,0|1,0,0]=3 598 B13R1.4453 CCOC(=O)C1=C(C)N=CC=C1Cl MC102704 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1F MC431018 [0,2,0,0,0,0|0,0,0]=2 600 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1O CS11337 [0,2,0,0,0,0|0,0,0]=2 601 B13R1.4453 CCOC(=O)C1=C(Cl)N=CC=C1Cl CS12340 [0,2,0,0,0,0|1,0,0]=3 602 B13R1.4453 CCOC(=O)C1=C(Cl)N=CN=C1Cl CS14929 [0,2,0,0,0,0|2,0,0]=4 603 B13R1.4453 CCOC(=O)C1=C(F)C=CC=C1F MC40038 [0,2,0,0,0,0|0,0,0]=2 604 B13R1.4453 CCOC(=O)C1=C(O)C=CC=C1C MC40042 [0,2,0,0,0,0|0,0,0]=2 605 B11R1.189 CCOC1=CC=CC(C=O)=C1 MC433437 [0,0,1,1,0,0|2,0,0]=4 606 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,1,0,0|1,0,1]=4 607 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [1,0,0,1,0,0|1,0,1]=4 608 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [1,0,0,1,0,0|1,0,1]=4 609 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [1,0,0,1,0,0|1,0,1]=4 610 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [1,0,0,1,0,0|1,0,1]=4 611 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [1,0,0,1,0,0|1,0,1]=4 612 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,0,0,1,0,0|0,0,0]=2 613 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [1,0,0,1,0,0|1,0,0]=3 614 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [1,0,0,1,0,0|1,0,0]=3 615 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [1,0,0,1,0,0|1,0,0]=3 616 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [1,0,0,1,0,0|2,0,0]=4 617 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [1,0,0,1,0,0|2,0,0]=4 618 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [1,0,0,1,0,0|1,0,0]=3 619 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [1,0,0,1,0,0|1,0,0]=3 620 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [1,0,0,1,0,0|2,0,0]=4 621 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [1,0,0,1,0,0|2,0,0]=4 622 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [1,0,0,1,0,0|0,0,0]=2 623 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [1,0,0,1,0,0|1,0,0]=3 624 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [1,0,0,1,0,0|1,1,0]=4 625 B11R2.40 NC1(C2=CC=CC=C2)CC1 MC425296 [1,0,0,1,0,0|1,0,1]=4 626 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [1,0,0,1,0,0|1,0,1]=4 627 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [1,0,0,1,0,0|0,0,1]=3 628 B11R2.238 C1=CC=C(SC2CC2)C=C1 MC20576 [1,0,0,1,0,0|2,0,0]=4 629 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 CS19133 [0,0,0,1,0,1|2,0,0]=4 630 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,0,0,1,0,1|1,0,0]=3 631 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 MC431588 [0,0,0,1,0,1|2,0,0]=4 632 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [0,0,0,1,0,1|2,0,0]=4 633 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [0,0,0,1,0,1|1,0,1]=4 634 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 MC113029 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.3 C1=CC=C(C2COCCN2)C=C1 MC104251 [0,1,0,1,0,0|1,0,1]=4 636 B13R2.3 C1=CC=C(C2COCCN2)C=C1 MC107844 [0,1,0,1,0,0|1,0,1]=4 637 B13R2.1613 O\N=C1\CCCC2=CC=CC=C21 CS11087 [0,1,0,1,0,0|1,0,1]=4 638 B13R2.2931 CN1C=C(C=O)C2=CC=CC=C21 CS11343 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.2931 CN1N=C(C=O)C2=CC=CC=C21 MC444114 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.520 O=C(C1=CC=C(O)C=C1)C2CC2 MC30319 [0,1,0,1,0,0|1,0,0]=3 641 B13R2.520 O=C(C1=NC=C(F)C=C1)C2CC2 MC111952 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.5179 CC1=CC=C2C(=O)CCCC2=C1 CS10733 [0,1,0,1,0,0|1,0,0]=3 643 B13R2.5179 NC1=CC=C2C(=O)CCCC2=C1 MC441180 [0,1,0,1,0,0|1,0,0]=3 644 B13R2.5179 NC1=CC=C2C(=O)NCCC2=C1 MC431590 [0,1,0,1,0,0|1,0,0]=3 645 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=N2 MC430372 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.5179 O=C1CCCC2=CC(Br)=CC=C12 MC10362 [0,1,0,1,0,0|1,0,0]=3 647 B13R2.5179 O=C1CCCC2=CC(Cl)=CC=C12 CS18199 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.5179 O=C1CCCC2=CC(F)=CC=C12 CS15679 [0,1,0,1,0,0|1,0,0]=3 649 B13R2.5179 O=C1CCOC2=CC(Br)=CC=C12 CS10791 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.5179 O=C1CCOC2=CC(Cl)=CC=C12 CS10805 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.5179 O=C1CCOC2=CC(F)=CC=C12 CS13519 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.5179 O=C1CCOC2=CC(O)=CC=C12 CS22849 [0,1,0,1,0,0|2,0,0]=4 653 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 MC102515 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.5179 O=C1NCCC2=CC(Br)=CC=C12 CS18011 [0,1,0,1,0,0|1,0,0]=3 655 B13R2.5179 O=C1NCCC2=CC(Cl)=CC=C12 CS18170 [0,1,0,1,0,0|1,0,0]=3 656 B13R2.5179 O=C1NCCC2=CC(O)=CC=C12 CS17654 [0,1,0,1,0,0|1,0,0]=3 657 B13R2.5187 CC1CC(=O)C2=CC=C(F)C=C21 MC446744 [0,1,0,1,0,0|1,0,0]=3 658 B13R2.5187 O=C1NC(O)C2=CC(Br)=CC=C12 MC427428 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 CS20571 [0,1,0,1,0,0|1,0,1]=4 660 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 MC20637 [0,1,0,1,0,0|1,0,1]=4 661 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 MC20072 [0,1,0,1,0,0|1,0,1]=4 662 B13R2.162 CC1=CC=C2CCCC(=O)C2=C1 MC441069 [0,1,0,1,0,0|1,0,0]=3 663 B13R2.162 NC1=CC=C2CCCC(=O)C2=C1 MC425786 [0,1,0,1,0,0|1,0,0]=3 664 B13R2.162 NC1=CC=C2CCNC(=O)C2=C1 CS18415 [0,1,0,1,0,0|1,0,0]=3 665 B13R2.162 O=C1CCCC2=CC=C(Br)C=C12 CS11321 [0,1,0,1,0,0|1,0,0]=3 666 B13R2.162 O=C1CCCC2=CC=C(Cl)C=C12 MC425779 [0,1,0,1,0,0|1,0,0]=3 667 B13R2.162 O=C1CCCC2=CC=C(F)C=C12 MC445729 [0,1,0,1,0,0|1,0,0]=3 668 B13R2.162 O=C1CCCC2=CC=C(I)C=C12 MC442211 [0,1,0,1,0,0|1,0,0]=3 669 B13R2.162 O=C1CCCC2=CC=C(O)C=C12 MC441070 [0,1,0,1,0,0|1,0,0]=3 670 B13R2.162 O=C1CCNC2=CC=C(Br)C=C12 CS12319 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.162 O=C1CCNC2=CC=C(Cl)C=C12 MC442354 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.162 O=C1CCOC2=C1C=C(F)C=C2 MC41788 [0,1,0,1,0,0|2,0,0]=4 673 B13R2.162 O=C1CCOC2=CC=C(Br)C=C12 CS21500 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.162 O=C1CCOC2=CC=C(I)C=C12 MC114865 [0,1,0,1,0,0|2,0,0]=4 675 B13R2.162 O=C1NCCC2=CC=C(Br)C=C12 CS17663 [0,1,0,1,0,0|1,0,0]=3 676 B13R2.162 O=C1NCCC2=CC=C(I)C=C12 MC107454 [0,1,0,1,0,0|1,0,0]=3 677 B13R2.342 CC1=C2CCCC(=O)C2=CC=C1 MC441068 [0,1,0,1,0,0|1,0,0]=3 678 B13R2.342 NC1=C2CCNC(=O)C2=CC=C1 MC442483 [0,1,0,1,0,0|1,0,0]=3 679 B13R2.342 O=C1CCCC2=C(F)C=CC=C12 CS19426 [0,1,0,1,0,0|1,0,0]=3 680 B13R2.342 O=C1CCCC2=C(O)C=CC=C12 MC41791 [0,1,0,1,0,0|1,0,0]=3 681 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 CS10844 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 CS10849 [0,1,0,1,0,0|2,0,0]=4 683 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 CS13508 [0,1,0,1,0,0|2,0,0]=4 684 B13R2.342 O=C1NCCC2=C(O)C=CC=C12 CS15002 [0,1,0,1,0,0|1,0,0]=3 685 B13R2.4857 CC1=C2C(=O)OC(=O)C2=CC=C1 MC434000 [0,1,0,1,0,0|1,0,1]=4 686 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 MC20882 [0,1,0,1,0,0|1,0,1]=4 687 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 CS10603 [0,1,0,1,0,0|1,0,1]=4 688 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 CS20622 [0,1,0,1,0,0|1,0,1]=4 689 B13R2.371 CC1=NCC(C)C2=CC=CC=C21 MC33409 [0,1,0,1,0,0|2,0,0]=4 690 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 CS17849 [0,1,0,1,0,0|2,0,0]=4 691 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 MC20683 [0,1,0,1,0,0|1,0,0]=3 692 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 CS11086 [0,1,0,1,0,0|1,0,0]=3 693 B13R2.32 NC1CCC2=C(C=CN=C2)C1=O MC107574 [0,1,0,1,0,0|2,0,0]=4 694 B13R2.8138 O=S(C1=CC=CC=C1)C2(Cl)CC2 MC121262 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.12159 CC1(C)NC(=O)C2=CC=CC=C21 MC101955 [0,1,0,1,0,0|1,0,0]=3 696 B13R2.12159 CC1(C)OB(O)C2=C1C=CC=C2 MC114985 [0,1,0,1,0,0|1,0,1]=4 697 B13R2.12159 CC1(C)O[IH2](Cl)C2=C1C=CC=C2 MC100311 [0,1,0,1,0,0|2,0,0]=4 698 B13R2.18 BrC1=C(C2OCCO2)C=CC=C1 MC445047 [0,1,0,1,0,0|0,0,2]=4 699 B13R2.4818 O=C1NCCC2=CC=CC(Br)=C12 CS17198 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [1,0,0,0,1,0|1,0,0]=3 701 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [1,0,0,0,1,0|1,0,0]=3 702 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [1,0,0,0,1,0|2,0,0]=4 703 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [1,0,0,0,1,0|1,0,0]=3 704 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [1,0,0,0,1,0|2,0,0]=4 705 B9R1.11 COC(=O)C1=CNN=C1 MC425198 [1,0,0,0,1,0|2,0,0]=4 706 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [1,0,0,0,1,0|2,0,0]=4 707 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [1,0,0,0,1,0|2,0,0]=4 708 B9R1.12 CCOCC1=CC=CO1 CS17009 [1,0,0,0,1,0|1,0,1]=4 709 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 MC111305 [0,0,0,0,0,2|0,0,2]=4 710 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [0,0,0,0,0,2|1,0,0]=3 711 B13R1.42 CCOC(=O)COC1=CC=CN=C1 CS19787 [0,0,0,0,0,2|1,0,0]=3 712 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [0,0,0,0,0,2|2,0,0]=4 713 B13R1.42 NCCC(=O)OCc1ccccc1 MC436156 [0,0,0,0,0,2|2,0,0]=4