0 B12R1.32 C#CCN(CC1=CC=CC=C1)C M10007888P [0,0,0,0,0,0|3,0,1]=4 1 B12R1.32 CN(CCO)CC1=CC=CC=C1 M10002949P [0,0,0,0,0,0|2,0,2]=4 2 B11R1.28 C=CCNCC1=CC=CC=C1 M10062629P [1,0,0,0,0,0|3,0,0]=4 3 B13R1.348 O=C(O)CC(N)CC1=CC=CC=C1 M10134951P [0,1,0,0,0,0|2,0,0]=3 4 B13R2.64 C1(CC2=CC=CC=C2)=NC=CN1 M10132833P [0,0,0,1,0,0|2,0,1]=4 5 B13R2.328 O=C1C2=CC=CC=C2N=C(C)O1 M10013132P [0,0,0,1,0,0|2,0,1]=4 6 B11R1.16 CC(C1=CC=CC=C1)CNC M12025375P [0,0,0,0,1,0|3,0,0]=4 7 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=O M10132504P [0,0,0,0,1,0|0,0,2]=3 8 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=O M10220208P [0,0,0,0,1,0|0,0,2]=3 9 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C M10498757P [0,0,0,0,0,1|2,0,1]=4 10 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [2,0,0,0,0,0|1,0,0]=3 11 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [2,0,0,0,0,0|0,0,1]=3 12 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [2,0,0,0,0,0|1,0,1]=4 13 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 M10309731P [2,0,0,0,0,0|0,0,2]=4 14 B10R1.18 CC(CC1=NC=CC=C1)=O M10087968P [2,0,0,0,0,0|1,0,1]=4 15 B10R1.18 CC(O)CC1=CC=CC=C1 M10018807P [2,0,0,0,0,0|0,0,1]=3 16 B10R1.18 CC(O)CC1=CC=CC=C1 M10133834P [2,0,0,0,0,0|0,0,1]=3 17 B10R1.18 CC(OC1=CC=CC=C1)C M10047209P [2,0,0,0,0,0|1,0,1]=4 18 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 M10032962P [2,0,0,0,0,0|0,0,1]=3 19 B10R1.18 C[C@H](O)CC1=CC=CC=C1 M10032105P [2,0,0,0,0,0|0,0,1]=3 20 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [2,0,0,0,0,0|1,0,1]=4 21 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [2,0,0,0,0,0|1,0,1]=4 22 B12R1.252 O=C(O)CCCC1=NC=CC=C1 M10649446P [1,1,0,0,0,0|2,0,0]=4 23 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 M10035233P [1,1,0,0,0,0|1,0,0]=3 24 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O M10415967P [1,1,0,0,0,0|1,0,0]=3 25 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [1,1,0,0,0,0|1,0,1]=4 26 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 M10499013P [1,1,0,0,0,0|0,0,1]=3 27 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O M10002262P [0,1,0,0,1,0|1,0,0]=3 28 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10172364P [0,1,0,0,1,0|2,0,0]=4 29 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10243459P [0,1,0,0,1,0|2,0,0]=4 30 B14R1.156 CC(NCCO)COC1=CC=CC=C1 M10003066P [0,1,0,0,0,1|0,0,2]=4 31 B14R1.954 CC(NCC)CC1=CC=C(OC)C=C1 M10130661P [0,2,0,0,0,0|1,0,1]=4 32 B14R1.425 O=C(O)[C@@H](O)[C@H](N)CC1=CC=CC=C1 M10308118P [0,2,0,0,0,0|2,0,0]=4 33 B12R2.41 C12=CC=CC=C1CCNCC2 M10063070P [1,0,0,1,0,0|1,0,1]=4 34 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [1,0,0,1,0,0|1,0,1]=4 35 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [1,0,0,1,0,0|1,0,1]=4 36 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [1,0,0,1,0,0|1,0,1]=4 37 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [1,0,0,1,0,0|1,0,1]=4 38 B12R2.1081 O=C1CCCC2=C1C=NC=C2 M10172395P [1,0,0,1,0,0|2,0,0]=4 39 B12R2.1081 O=C1CCNC2=C1C=CC=C2 M10061767P [1,0,0,1,0,0|2,0,0]=4 40 B12R2.1081 O=C1COCC2=C1C=CC=C2 M10168044P [1,0,0,1,0,0|2,0,0]=4 41 B12R2.1081 O=C1NCCC2=C1C=CC=C2 M10028879P [1,0,0,1,0,0|0,0,0]=2 42 B12R2.1081 O=C1NCCC2=C1N=CC=C2 M10854246P [1,0,0,1,0,0|1,0,0]=3 43 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O M10141381P [1,0,0,1,0,0|1,0,1]=4 44 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 M10243903P [0,0,0,1,1,0|2,0,0]=4 45 B12R2.2028 O=C1NC(O)C2=NC=CC=C21 M10696674P [0,0,0,1,1,0|2,0,0]=4 46 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 M10025032P [0,0,0,1,1,0|1,0,0]=3 47 B12R2.2028 O=C1OC(Cl)C2=C1C=CC=C2 M10087510P [0,0,0,1,1,0|2,0,0]=4 48 B14R2.598 O=C1NC(C(C2=CC=CC=C2)N1)=O M10001888P [0,0,0,1,0,1|1,0,1]=4 49 B14R2.6 C1(CC2=CC=CC=C2)NCCOC1 M10109723P [0,1,0,1,0,0|0,0,2]=4 50 B14R2.19 O=C1CN(CC2=CC=CC=C2)CC1 M10025236P [0,1,0,1,0,0|2,0,0]=4 51 B14R2.19 S=C1OC[C@@H](CC2=CC=CC=C2)N1 M10821511P [0,1,0,1,0,0|0,0,1]=3 52 B14R2.19 S=C1OC[C@H](CC2=CC=CC=C2)N1 M10768680P [0,1,0,1,0,0|0,0,1]=3 53 B10R1.15 C=CC(Cl)C1=CC=CC=C1 M10295196P [1,0,0,0,1,0|2,0,0]=4 54 B10R1.15 CC(C1=CC=CC=C1)C=O M10002231P [1,0,0,0,1,0|0,0,0]=2 55 B10R1.15 CC(C1=CC=CC=C1)CBr M10031082P [1,0,0,0,1,0|1,0,1]=4 56 B10R1.15 CC(C1=CC=CC=C1)CN M10165660P [1,0,0,0,1,0|1,0,1]=4 57 B10R1.15 CC(C1=CC=CC=C1)CO M10027348P [1,0,0,0,1,0|0,0,2]=4 58 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 M10082047P [1,0,0,0,1,0|0,0,1]=3 59 B10R1.15 NCC(C)C1=CC=CC=C1 M10223405P [1,0,0,0,1,0|1,0,1]=4 60 B10R1.15 O=CC(Br)C1=CC=CC=C1 M10146045P [1,0,0,0,1,0|1,0,0]=3 61 B10R1.27 CC(NC)CC1=CC=CS1 M10106016P [1,0,0,0,1,0|1,0,1]=4