0 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 COCC1=CC=CC=C1 BBL011461 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.20 CC(C)NC1=CC=C(Cl)N=N1 BBL037756 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BBL028078 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.86 CC(C)SC1=CC=CC=C1N BBL034974 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.157 CC(C)OC1=CC=CC(N)=C1 BBL036331 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 BBL011462 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.6 CC(=O)C1=NC=CN=C1 BBL037027 [0,0,0,0,1,0|2,0,1]=4 19 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [0,0,0,0,1,0|2,0,1]=4 20 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBL012969 [0,0,0,0,1,0|2,0,1]=4 21 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.13 CC(=O)CN1C=CC=N1 BBL040015 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.13 CC(N)CC1=CC=CO1 BBL030348 [0,0,0,0,1,0|2,0,0]=3 24 B9R1.13 CC(N)CN1C=CC=N1 BBL040014 [0,0,0,0,1,0|2,0,0]=3 25 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,0,0,0,0,1|2,0,1]=4 26 B11R1.91 CC(O)C#CC1=CC=CC=C1 BBL028011 [0,0,0,0,0,1|2,0,1]=4 27 B11R1.91 O=C(O)COC1=CN=CC=C1 BBL009657 [0,0,0,0,0,1|2,0,1]=4 28 B8R1.2 N#CC1=CN=CC=C1 BBL037217 [2,0,0,0,0,0|1,0,1]=4 29 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 CNCC1=CC=CN=C1Cl BBL036539 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.10 CNCC1=CC(N)=CC=C1 BBL011550 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BBL017883 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.113 CC(N)C1=CC(O)=CC=C1 BBL023566 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 BBL017910 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.23 CC(C)C(=O)C1=CC=CS1 BBL039465 [0,1,0,0,1,0|1,0,1]=4 53 B10R1.27 CC(C#N)CN1C=CC=N1 BBL040435 [0,1,0,0,1,0|1,0,1]=4 54 B10R1.27 CC(CN)CN1C=CC=N1 BBL040267 [0,1,0,0,1,0|1,0,0]=3 55 B10R1.54 CC(C)CC1=NC(Br)=NN1 BBL011173 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.54 CC(C)CC1=NC(Cl)=NN1 BBL011216 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.54 CC(C)CC1=NNC(N)=N1 BBL012007 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.54 CC(C)CC1=NOC(N)=C1 BBL031750 [0,1,0,0,1,0|1,0,0]=3 59 B10R1.54 CC(C)CN1C=CC(N)=N1 BBL040279 [0,1,0,0,1,0|1,0,0]=3 60 B10R1.54 CC(C)CN1C=NC(Cl)=N1 BBL036709 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.54 CC1=CN(CC(C)N)N=C1 BBL038055 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.54 CC1=NN(CC(C)N)C=C1 BBL038054 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.64 CC(C)CN1N=CC=C1N BBL040282 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.21 CC(C)CNC1=NN=C(Cl)C=C1 BBL009735 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 BBL025760 [0,1,0,0,0,1|1,0,0]=3 66 B12R1.27 CCC(C)NCC1=NC=CC=C1 BBL000288 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.27 N(CC1=CC=CN=C1)C(C)CC BBL000150 [0,1,0,0,0,1|0,0,0]=2 68 B12R1.27 N(CC1=CC=NC=C1)C(C)CC BBL000054 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.125 CC(C)NCC1=CC=CN=C1Cl BBL036520 [0,1,0,0,0,1|0,0,0]=2 70 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 BBL018606 [0,1,0,0,0,1|1,0,1]=4 71 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 BBL018826 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BBL028041 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 BBL010298 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl BBL017803 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 BBL029432 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.118 COC(CC1=CC=CC=C1)OC BBL011496 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 BBL029473 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 BBL023174 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.75 CC(C)OC1=CC=CC=C1CN BBL011262 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.438 CC(C)OC1=CC=CC(CN)=C1 BBL023365 [0,2,0,0,0,0|2,0,0]=4 81 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 BBL030107 [0,0,0,1,0,1|2,0,0]=4 82 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 BBL007852 [0,0,0,1,0,1|0,0,0]=2 83 B12R2.294 ClC1=CC=C(NC2CC2)N=N1 BBL031490 [0,1,0,1,0,0|2,0,0]=4 84 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BBL027331 [0,1,0,1,0,0|1,0,1]=4 85 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.8 CNCC1=CC=NN1 BBL040747 [1,0,0,0,1,0|2,0,0]=4 87 B8R1.8 CNCC1=CN=CN1 BBL036733 [1,0,0,0,1,0|2,0,0]=4 88 B8R1.8 ClCCN1C=CC=N1 BBL028326 [1,0,0,0,1,0|2,0,0]=4 89 B8R1.8 NCCC1=CC=CS1 BBL001466 [1,0,0,0,1,0|2,0,0]=4 90 B8R1.8 NCCC1=CNC=N1 BBL004932 [1,0,0,0,1,0|2,0,0]=4 91 B12R1.252 CC(C)NCCC1=CC=CC=C1 BBL023458 [0,0,0,0,0,2|1,0,0]=3 92 B12R1.252 N(CC1=CC=CC=C1)CC(C)C BBL022517 [0,0,0,0,0,2|1,0,0]=3