0 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 C=CC1=CNC(=O)C=C1 W19299 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.1 O=CC1=NC=C(F)C=N1 38374 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [0,1,0,0,0,0|0,0,2]=3 7 B10R1.3 COC1=CN=C(C=O)N=C1 P10965 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.3 O=CC1=NC=C(CO)C=N1 AC2016 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.13 OC1=CN=C(C(F)F)C=C1 O11507 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.25 CC1=CC(F)=C(C=O)N=C1 AT25473 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.25 N#CC1=C(Br)C=C(O)C=N1 D83960 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.25 O=CC1=C(Br)C=C(Cl)N=C1 CL0318 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.25 O=CC1=C(Cl)C=C(F)N=C1 CL0320 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.25 O=CC1=CN=C(Cl)C=C1F AC8394 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.176 C#CC1=CC(N)=C(F)C=C1 C71057 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 D88030 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.176 CN1C=CC(C=O)=CC1=O P13362 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [0,1,0,0,0,0|1,0,1]=3 26 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [1,1,0,0,0,0|1,0,1]=4 30 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [1,1,0,0,0,0|1,0,1]=4 32 B9R1.69 CN1C=C(O)C=CC1=O P17267 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.69 NC1=C(N)N=C(O)C=C1 79599 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [1,1,0,0,0,0|1,1,0]=4 35 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [0,2,0,0,0,0|0,0,0]=2 36 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 A11902 [0,2,0,0,0,0|0,0,0]=2 37 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,2,0,0,0,0|1,0,1]=4 39 B11R1.21 C[C@H](N)C1=CC(F)=C(O)C=C1 Y13967 [0,2,0,0,0,0|0,0,2]=4 40 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 O11445 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.277 O=CC1=CC(Br)=C(Br)C=C1F FD10643 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.277 O=CC1=CC(Cl)=C(Cl)C=C1F C90875 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.278 O=CC1=C(O)C(F)=C(Br)C=C1 F53695 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.464 CC1=CC(Br)=CC(O)=C1C=O C72676 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.464 N#CC1=C(Br)C=C(O)C=C1Br 97435 [0,2,0,0,0,0|1,0,1]=4 46 B11R1.464 NC1=CC(Br)=CC(F)=C1C=O 53935 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.464 O=CC1=C(Br)C=C(F)C=C1Cl AC4254 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.3 NC1=CC=CC(O)=C1I 79304 [0,0,1,1,0,0|2,0,0]=4 49 B11R2.36 BrC1=CC2=NSC=C2C=C1 D84732 [0,1,0,1,0,0|2,0,0]=4 50 B11R2.36 BrC1=CN=C2C=COC2=C1 W19090 [0,1,0,1,0,0|2,0,0]=4 51 B11R2.36 CC1=CC2=C(C=C1)SC=N2 AT10317 [0,1,0,1,0,0|2,0,0]=4 52 B11R2.36 CC1=CC2=CN=CN2C=C1 D80112 [0,1,0,1,0,0|2,0,0]=4 53 B11R2.36 ClC1=CN2C=NC=C2C=C1 84520 [0,1,0,1,0,0|2,0,0]=4 54 B11R2.36 ClC1=NC2=C(C=CO2)C=C1 D79572 [0,1,0,1,0,0|2,0,0]=4 55 B11R2.36 ClC1=NC2=C(C=CS2)C=C1 C75923 [0,1,0,1,0,0|2,0,0]=4 56 B11R2.36 ClC1=NC=C2OC=CC2=C1 P19823 [0,1,0,1,0,0|2,0,0]=4 57 B11R2.36 ClC1=NC=C2SC=CC2=C1 P12259 [0,1,0,1,0,0|2,0,0]=4 58 B11R2.36 FC1=NC2=C(C=C1)NC=C2 29257 [0,1,0,1,0,0|2,0,0]=4 59 B11R2.36 NC1=CC2=C(C=C1)C=NS2 AC7467 [0,1,0,1,0,0|2,0,0]=4 60 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [0,1,0,1,0,0|1,0,0]=3 61 B11R2.36 NC1=CN=C2OC=CC2=C1 P11582 [0,1,0,1,0,0|2,0,0]=4 62 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [0,1,0,1,0,0|0,0,2]=4 63 B11R2.36 OC1=CC2=C(C=C1)NN=N2 A12615 [0,1,0,1,0,0|2,0,0]=4 64 B11R2.36 OC1=CN=C2NN=CC2=C1 P16495 [0,1,0,1,0,0|2,0,0]=4