0 B8R1.8 BrCCC1=CC=CS1 M10194071P [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCN1N=CC=C1 M10217397P [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCOC1=NC=CS1 M10138070P [0,0,0,0,0,0|0,0,0]=0 3 B8R1.8 NCCC1=CNC=N1 M10000170P [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 NCCC1=NC=CN1 M10159749P [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 BrCC1=CC=CO1 M10063276P [1,0,0,0,0,0|2,1,0]=4 6 B7R1.1 BrCC1=NNC=C1 M10649267P [1,0,0,0,0,0|3,0,0]=4 7 B7R1.1 C#CC1=CC=CS1 M10061791P [1,0,0,0,0,0|1,0,2]=4 8 B7R1.1 CCC1=NC=CS1 M10138064P [1,0,0,0,0,0|0,0,0]=1 9 B7R1.1 CCC1=NCCO1 M10115051P [1,0,0,0,0,0|0,1,2]=4 10 B7R1.1 CCN1N=CC=C1 M10047966P [1,0,0,0,0,0|2,0,0]=3 11 B7R1.1 CCN1N=CN=C1 M10145084P [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 CSC1=NC=CS1 M10068366P [1,0,0,0,0,0|0,1,0]=2 13 B7R1.1 CSC1=NCCS1 M10163702P [1,0,0,0,0,0|0,1,2]=4 14 B7R1.1 ClCC1=CC=CS1 M10020165P [1,0,0,0,0,0|2,0,0]=3 15 B7R1.1 ClCC1=CSC=N1 M10109961P [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 ClCC1=NC=CO1 M10813721P [1,0,0,0,0,0|1,1,0]=3 17 B7R1.1 ClCC1=NN=CO1 M10450928P [1,0,0,0,0,0|2,1,0]=4 18 B7R1.1 NCC1=CC=CN1 M10405721P [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 NCC1=CN=CS1 M10790734P [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 NCC1=NC=CO1 M11020248P [1,0,0,0,0,0|1,1,0]=3 21 B7R1.1 NCC1=NC=CS1 M10283798P [1,0,0,0,0,0|1,0,0]=2 22 B7R1.1 NCC1=NNC=C1 M10233808P [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 NCC1=NOC=C1 M10109645P [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 O=CC1=NC=CO1 M10412277P [1,0,0,0,0,0|1,1,1]=4 25 B7R1.1 O=CC1=NC=CS1 M10112946P [1,0,0,0,0,0|1,0,1]=3 26 B7R1.1 OCC1=CNC=N1 M10021336P [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 OCC1=NC=CO1 M10731569P [1,0,0,0,0,0|1,1,0]=3 28 B7R1.1 OCC1=NNC=C1 M10180756P [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 SCC1=CC=CS1 M10085524P [1,0,0,0,0,0|2,0,0]=3 30 B9R1.7 NC1=NN=C(COC)S1 M10139202P [0,1,0,0,0,0|3,0,0]=4 31 B9R1.7 SC1=NN=C(SCC)S1 M10232736P [0,1,0,0,0,0|1,1,0]=3 32 B9R1.11 BrCC(C1=CC=CS1)=O M10115924P [0,1,0,0,0,0|3,0,0]=4 33 B9R1.11 O=C(C1=CC=CS1)OC M10072317P [0,1,0,0,0,0|3,0,0]=4 34 B9R1.11 O=C(C1=NC=CN1)OC M10148851P [0,1,0,0,0,0|3,0,0]=4 35 B9R1.12 CCCCC1=CC=CS1 M10031024P [0,1,0,0,0,0|2,0,0]=3 36 B9R1.13 CC(N)CC1=CC=CO1 M10295935P [0,1,0,0,0,0|2,1,0]=4 37 B7R0.7 C\C(OCC)=N/C#N M10032691P [0,0,1,0,0,0|2,0,1]=4 38 B7R0.7 C\C=C\C(OCC)=O M10116065P [0,0,1,0,0,0|1,1,1]=4 39 B7R0.7 O=C(OCC)\C=C\I M10215517P [0,0,1,0,0,0|2,1,0]=4 40 B9R1.8 CCNC1=CC=CN=C1 M10217063P [0,0,0,0,0,1|2,0,0]=3 41 B9R1.8 CCOC1=NN=CC=C1 M10375586P [0,0,0,0,0,1|1,0,0]=2 42 B9R1.8 CCOC1CCC=CO1 M10003099P [0,0,0,0,0,1|1,1,1]=4 43 B9R1.8 OCCC1=NC=CN=C1 M10095634P [0,0,0,0,0,1|3,0,0]=4 44 B6R0.1 C=CC(NCC)=O M10081542P [1,0,1,0,0,0|1,1,0]=4 45 B6R0.1 C=CC(OCC)=O M10186126P [1,0,1,0,0,0|0,1,0]=3 46 B6R1.2 BrC1=NC=CN1 M10144381P [2,0,0,0,0,0|2,0,0]=4 47 B6R1.2 BrC1=NN=CS1 M10351620P [2,0,0,0,0,0|2,0,0]=4 48 B6R1.2 CC1=CC=CN1 M10017268P [2,0,0,0,0,0|1,0,1]=4 49 B6R1.2 CC1=CN=CS1 M10055792P [2,0,0,0,0,0|2,0,0]=4 50 B6R1.2 CC1=NCCS1 M10042677P [2,0,0,0,0,0|0,0,2]=4 51 B6R1.2 CC1=NNC=N1 M10102125P [2,0,0,0,0,0|2,0,0]=4 52 B6R1.2 ClC1=NC=CS1 M10050403P [2,0,0,0,0,0|1,0,0]=3 53 B6R1.2 IC1=NC=CN1 M10050409P [2,0,0,0,0,0|2,0,0]=4 54 B6R1.2 NC1=NC=CN1 M10110055P [2,0,0,0,0,0|2,0,0]=4 55 B6R1.2 NC1=NC=CS1 M10084286P [2,0,0,0,0,0|1,0,0]=3 56 B6R1.2 NC1=NC=NS1 M10108595P [2,0,0,0,0,0|2,0,0]=4 57 B6R1.2 S=C1SC=CN1 M10079135P [2,0,0,0,0,0|0,1,1]=4 58 B6R1.2 SC1=NC=CS1 M10487088P [2,0,0,0,0,0|0,1,0]=3 59 B8R0.1 O=C(OCC)\C=C\C=O M10049575P [0,1,1,0,0,0|1,1,0]=4 60 B8R1.1 CC1=CC=C(CC)S1 M10242382P [1,1,0,0,0,0|1,0,0]=3 61 B8R1.1 COC1=CC=C(Br)S1 M10292628P [1,1,0,0,0,0|1,0,0]=3 62 B8R1.1 OCC1=CC(Br)=CS1 M10476713P [1,1,0,0,0,0|2,0,0]=4 63 B8R1.1 SC1=NN=C(SC)S1 M10085618P [1,1,0,0,0,0|1,1,0]=4 64 B8R1.7 CC(C1=CC=CO1)C M10116563P [1,1,0,0,0,0|1,1,0]=4 65 B8R1.7 CC(C1=NC=CS1)C M10138065P [1,1,0,0,0,0|0,0,0]=2 66 B8R1.7 CC(C1=NNC=C1)C M10252677P [1,1,0,0,0,0|2,0,0]=4 67 B8R1.7 N=C(C1=NC=CS1)N M10835143P [1,1,0,0,0,0|1,0,1]=4 68 B8R1.7 N=C(C1=NC=CS1)N M10844603P [1,1,0,0,0,0|1,0,1]=4 69 B8R1.7 O=C(C1=NC=CS1)N M10144775P [1,1,0,0,0,0|1,0,1]=4 70 B10R1.1 CCNC1=NN=C(Br)C=C1 M10678121P [0,1,0,0,0,1|2,0,0]=4 71 B10R1.1 CCNC1=NN=C(Cl)C=C1 M10431103P [0,1,0,0,0,1|2,0,0]=4 72 B10R1.4 CC1=NC=CN=C1OCC M10218072P [0,1,0,0,0,1|1,0,0]=3 73 B10R1.4 CCOC1=CC=CC=C1Br M10014741P [0,1,0,0,0,1|2,0,0]=4 74 B10R1.4 CCOC1=CC=CC=C1Cl M10016119P [0,1,0,0,0,1|2,0,0]=4 75 B10R1.4 CCOC1=NC=CN=C1N M10571324P [0,1,0,0,0,1|1,0,0]=3 76 B10R1.4 NC1=C(OCC)C=CN=C1 M10033977P [0,1,0,0,0,1|2,0,0]=4 77 B10R1.10 CCOC1=CC(N)=NC=C1 M10264553P [0,1,0,0,0,1|2,0,0]=4 78 B10R1.10 OC1=CC=CC(OCC)=C1 M10196808P [0,1,0,0,0,1|2,0,0]=4 79 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [0,1,0,0,0,1|2,0,0]=4 80 B10R1.18 CC(OC1=CC=CC=C1)C M10047209P [0,1,0,0,0,1|2,0,0]=4 81 B10R1.16 SC1=NN=C(SCCC)S1 M10163408P [0,2,0,0,0,0|1,1,0]=4 82 B10R1.54 CC1=CSC(CC(C)C)=N1 M10329585P [0,2,0,0,0,0|1,0,0]=3 83 B10R1.54 S=C1SC(SC(C)C)=NN1 M10385783P [0,2,0,0,0,0|1,1,0]=4 84 B10R1.11 O=C(C1=CC=CO1)OCC M10030401P [0,2,0,0,0,0|1,1,0]=4 85 B10R1.11 O=C(C1=CC=CS1)CCCl M10243198P [0,2,0,0,0,0|2,0,0]=4 86 B10R1.11 O=C(C1=NC=CN1)OCC M10220766P [0,2,0,0,0,0|1,0,0]=3 87 B10R1.11 O=C(C1=NC=CO1)OCC M10219050P [0,2,0,0,0,0|0,1,0]=3 88 B10R1.11 O=C(C1=NNC=C1)OCC M10082024P [0,2,0,0,0,0|2,0,0]=4 89 B10R1.21 CCCCCC1=CC=CS1 M10066871P [0,2,0,0,0,0|2,0,0]=4 90 B10R1.27 CC(NC)CC1=CC=CS1 M10106016P [0,2,0,0,0,0|2,0,0]=4 91 B10R2.7 C=12NCCC1C=CN=C2 M10951399P [0,0,0,1,0,1|2,0,0]=4 92 B10R2.14 NC1=NN=C(C2CC2)S1 M10293694P [0,1,0,1,0,0|2,0,0]=4 93 B10R2.32 O=C1CCC2=C1SC=C2 M10078628P [0,1,0,1,0,0|2,0,0]=4