0 B16R2.236 CC1=CC=CC([C@@H](N)C2=CC=CC=C2)=C1 Y13139 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.236 N[C@@H](C1=CC=CC=C1)C2=CC=CC(Br)=C2 Y13135 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.236 N[C@@H](C1=CC=CC=C1)C2=CC=CC(Cl)=C2 Y12028 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.236 N[C@@H](C1=CC=CC=C1)C2=CC=CC(F)=C2 N12885 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.236 O=C(C1=CC=CC=C1)C2=CC(Br)=CN=C2 O10124 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.31 BrC1=CC(CC2=CC=CC=C2)=CC=C1 F19896 [1,0,0,0,0,0|2,0,1]=4 6 B15R2.31 NC1=CC(OC2=CC=CC=C2)=NC=C1 C74017 [1,0,0,0,0,0|1,0,0]=2 7 B15R2.31 NC1=CC=CC(OC2=CN=CC=C2)=C1 AB9955 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.2226 CP(C1=CC=CC=C1)C2=CC=CC=C2 D94667 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.2226 OC(C1=NC=CC=C1)C2=NC=CC=C2 C74799 [1,0,0,0,0,0|2,0,1]=4 10 B17R2.5272 O=C(C1=CC=CC(Br)=C1)C2=CC(Br)=CC=C2 C15408 [0,1,0,0,0,0|3,0,0]=4 11 B17R2.5272 O=C(C1=CC=CC(Cl)=C1)C2=CC(Cl)=CC=C2 N12280 [0,1,0,0,0,0|3,0,0]=4 12 B17R2.5356 CC1=CC(C(=O)C2=CC=CC=C2)=C(N)C=C1 O10039 [0,1,0,0,0,0|3,0,0]=4 13 B17R2.5356 NC1=C(C(=O)C2=CC=CC=C2)C=C(F)C=C1 75422 [0,1,0,0,0,0|3,0,0]=4 14 B17R3.4408 O=C1C2=CC=CC(Br)=C2C3=C1C=CC=C3 F15576 [0,0,0,1,0,0|3,0,0]=4 15 B17R3.31819 CC1=CC2=C(C=C1)C3=C(C=CC=C3)C2=O 79741 [0,0,0,1,0,0|3,0,0]=4 16 B17R3.31819 O=C1C2=C(C=CC=C2)C3=C1C=C(O)C=C3 77941 [0,0,0,1,0,0|3,0,0]=4 17 B15R2.297 O=C(C1=CC=CC=C1)C2=CC=C(Br)S2 T70752 [0,0,0,0,1,0|3,0,0]=4 18 B17R2.5273 O=C(NC1=CC=CC=C1)C2=NC=CC(Cl)=C2 AR3401 [0,0,0,0,0,1|2,0,0]=3 19 B17R2.5293 O=C(CC1=CC=CC(Br)=C1)C2=CC=CC=C2 W18445 [0,0,0,0,0,1|3,0,0]=4 20 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 T70381 [2,0,0,0,0,0|2,0,0]=4 21 B14R2.6 C1=CC=C(OC2=NC=CC=C2)C=C1 W13856 [2,0,0,0,0,0|1,0,0]=3 22 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 F14999 [2,0,0,0,0,0|2,0,0]=4 23 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 S11853 [2,0,0,0,0,0|2,0,0]=4 24 B14R2.6 C1=CC=C([SnH4+2]C2=CC=CC=C2)C=C1 T70532 [2,0,0,0,0,0|2,0,0]=4 25 B14R2.6 C1=CN=C(CC2=NC=CC=C2)C=C1 D82134 [2,0,0,0,0,0|1,0,1]=4 26 B16R2.23 NCC1=CC=CC(OC2=CC=CC=C2)=C1 AR1547 [1,1,0,0,0,0|2,0,0]=4 27 B16R2.23 NCC1=CC=CC(OC2=CC=CC=C2)=C1 C77659 [1,1,0,0,0,0|2,0,0]=4 28 B16R2.124 CC1=CC(OC2=CC=CC=C2)=NC=C1N W11272 [1,1,0,0,0,0|2,0,0]=4 29 B16R2.124 NC1=C(N)C=C(OC2=CC=CC=C2)C=C1 C72571 [1,1,0,0,0,0|2,0,0]=4 30 B16R2.131 NC1=CC=CC(OC2=CC=C(F)C=C2)=C1 AB21638 [1,1,0,0,0,0|2,0,0]=4 31 B16R2.251 NC1=CC=CC(CC2=CC=CC(N)=C2)=C1 T70503 [1,1,0,0,0,0|1,0,1]=4 32 B16R2.251 NC1=CC=CC(OC2=CC(N)=CC=C2)=C1 O10905 [1,1,0,0,0,0|2,0,0]=4 33 B16R2.120 ClC1=CC=C([C@H](Cl)C2=NC=CC=C2)C=C1 C10725 [1,1,0,0,0,0|1,0,1]=4 34 B16R2.120 N[C@@H](C1=CC=C(Br)C=C1)C2=NC=CC=C2 F19202 [1,1,0,0,0,0|1,0,1]=4 35 B16R2.120 O=C(C1=CC=C(O)C=C1)C2=NC=CC=C2 D80784 [1,1,0,0,0,0|1,0,0]=3 36 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(I)C=C2 C75875 [1,1,0,0,0,0|2,0,0]=4 37 B16R2.120 O=C(C1=CC=CC=C1)C2=NC=C(Br)C=C2 56084 [1,1,0,0,0,0|1,0,0]=3 38 B16R2.120 O[C@@H](C1=CC=C(Cl)C=C1)C2=NC=CC=C2 C15105 [1,1,0,0,0,0|1,0,1]=4 39 B16R2.3896 O=C(C1=CC=CC=C1)C2=C(O)C=CC=C2 W18696 [1,1,0,0,0,0|2,0,0]=4 40 B16R2.22 C=CC1=CC(C2=NC=CC(C)=C2)=NC=C1 C16312 [0,0,1,1,0,0|2,0,0]=4 41 B16R2.86 NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1 C71086 [0,0,1,1,0,0|1,0,0]=3 42 B16R3.2637 NC1=CC2=C(C=C1)C3=C(C=CC=C3)S2 F18748 [1,0,0,1,0,0|2,0,0]=4 43 B16R3.20606 C=C1C2=C(C=CC=C2)C3=C1C=CC=C3 A10765 [1,0,0,1,0,0|1,0,0]=3 44 B16R3.20606 O=C1C2=NC=CC=C2C3=CC=CN=C13 C15953 [1,0,0,1,0,0|2,0,0]=4 45 B18R3.5893 ClC1=C2NC(C3=CC=CC=C3)=CC2=NC=C1 C74227 [0,0,0,1,0,1|2,0,0]=4 46 B18R3.32722 BrC1=CC2=C(C=C1)C=C(C3=CC=CC=C3)N2 C76469 [0,0,0,1,0,1|2,0,0]=4 47 B18R3.32722 CC1=CC2=C(C=C1)C=C(C3=CC=CC=C3)N2 W18811 [0,0,0,1,0,1|2,0,0]=4 48 B18R3.32722 FC1=CC2=C(C=C1)C=C(C3=CC=CC=C3)N2 P16845 [0,0,0,1,0,1|2,0,0]=4 49 B18R3.32722 NC1=CC2=C(C=C1)NC(C3=CC=CC=C3)=C2 50469 [0,0,0,1,0,1|2,0,0]=4 50 B18R3.32722 NC1=NC2=NC(C3=CC=CC=C3)=CN2C=C1 53273 [0,0,0,1,0,1|1,0,1]=4 51 B18R3.4253 NC1=CC2=C(C=C1)NN=C2C3=CC=CC=C3 F18176 [0,1,0,1,0,0|2,0,0]=4 52 B18R3.5867 NC1=NC=NC2=C1C=NN2C3=CC=CC=C3 T71017 [0,1,0,1,0,0|2,0,0]=4 53 B14R2.21 BrC1=CC(C2=CC=CC=C2)=NC=C1 FD10576 [1,0,0,0,1,0|1,0,0]=3 54 B14R2.21 BrC1=CC(C2=NC=CC=C2)=NC=C1 AC1894 [1,0,0,0,1,0|2,0,0]=4 55 B14R2.21 BrC1=NC(C2=CC=CC=C2)=NC=C1 F51081 [1,0,0,0,1,0|2,0,0]=4 56 B14R2.21 ClC1=CC(C2=CC=CC=C2)=NC=C1 W17819 [1,0,0,0,1,0|1,0,0]=3 57 B14R2.21 ClC1=CC(C2=NC=CC=C2)=NC=C1 C72633 [1,0,0,0,1,0|2,0,0]=4 58 B14R2.21 ClC1=NC=NC(C2=CC=CC=C2)=C1 D82880 [1,0,0,0,1,0|2,0,0]=4 59 B14R2.21 IC1=NC=NC(C2=CC=CC=C2)=C1 D80476 [1,0,0,0,1,0|2,0,0]=4 60 B14R2.21 NC1=CC(C2=CC=CC=C2)=CN=C1 O11488 [1,0,0,0,1,0|2,0,0]=4 61 B14R2.21 NC1=CC(C2=CN=CC=C2)=NC=C1 C75078 [1,0,0,0,1,0|1,0,0]=3 62 B14R2.21 NC1=CC=CC(C2=NC=CC=C2)=C1 29406 [1,0,0,0,1,0|2,0,0]=4 63 B14R2.21 NC1=CC=NC(C2=NC=CC=C2)=N1 C75869 [1,0,0,0,1,0|2,0,0]=4 64 B14R2.21 NC1=NC=CC(C2=CC=CC=C2)=C1 25670 [1,0,0,0,1,0|2,0,0]=4 65 B14R2.21 NC1=NC=NC(C2=CC=CC=C2)=C1 92039 [1,0,0,0,1,0|1,0,0]=3 66 B14R2.21 NC1=NC=NC(C2=CN=CC=C2)=C1 92087 [1,0,0,0,1,0|2,0,0]=4 67 B14R2.114 O=C(C1=CC=CC=C1)C2=CC=CN2 20570 [1,0,0,0,1,0|1,0,1]=4 68 B14R2.114 O=C(C1=CC=CC=C1)C2=NNC=C2 D97175 [1,0,0,0,1,0|2,0,0]=4 69 B16R2.252 IC1=CC(OCC2=CC=CC=C2)=NC=C1 N13119 [1,0,0,0,0,1|1,0,1]=4 70 B16R2.252 NC1=CC(C#CC2=CC=CC=C2)=CC=C1 W18181 [1,0,0,0,0,1|1,0,1]=4 71 B16R2.252 NC1=CC(OCC2=CC=CC=C2)=NC=C1 91730 [1,0,0,0,0,1|0,0,1]=3 72 B16R2.88 O=C(CC1=CC=CC=C1)C2=NC=CC=C2 28067 [1,0,0,0,0,1|1,0,0]=3 73 B16R2.88 O=C(NC1=NC=CC=C1)C2=CC=CC=C2 D86229 [1,0,0,0,0,1|1,0,0]=3 74 B16R2.88 S=C(NC1=NC=CC=C1)C2=NC=CC=C2 D70755 [1,0,0,0,0,1|2,0,0]=4 75 B18R2.6463 NC1=CC=CC(C(=O)NCC2=CC=CC=C2)=C1 F20160 [0,0,0,0,0,2|2,0,0]=4