0 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 4108304 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=C(C)N=C(Cl)C=C1 4031009 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=C(C)N=CC(O)=C1 4042425 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 CC1=CN=C(N)C(C)=C1 4043653 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 CC1=NC(Cl)=CC=C1Cl 4050886 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=NC=C(Cl)N=C1C 4036448 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 CC1=NNC(=O)C(Br)=C1 4040475 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 NC1=C(F)N=CC(Cl)=C1 4041624 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.69 NC1=CC(Br)=CN=C1Cl 4108308 [0,0,0,0,0,0|2,1,1]=4 9 B8R1.3 BrC1=CN=C(I)C=C1 4045186 [1,0,0,0,0,0|1,1,1]=4 10 B8R1.3 NC1=CC=C(I)C=N1 3001813 [1,0,0,0,0,0|1,1,1]=4 11 B8R1.3 OC1=CC=C(O)N=C1 4030644 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.4 CC1=CC(O)=NN=C1 4108288 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.4 NC1=CC(Br)=CN=C1 4006048 [1,0,0,0,0,0|1,1,1]=4 14 B8R1.4 OC1=NC(Cl)=CN=C1 4042614 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.5 NC1=CC=CN=C1O 4034758 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.22 CC1=CC(Cl)=CC(N)=C1N 4030835 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.22 CC1=CC(Cl)=CC(N)=C1N 4087918 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.22 NC1=C(N)C(Cl)=CC(Cl)=C1 5366312 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.118 CC1=C(C)C=C(O)C(N)=C1 4030316 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.118 CC1=C(C)NC(=O)C(Br)=C1 4041109 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.118 CC1=C(C)NC(=O)C(N)=C1 4041366 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 4043707 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.118 CC1=C(O)C=C(F)C(Br)=C1 4064018 [0,1,0,0,0,0|2,1,0]=4 30 B10R1.118 CC1=CC(=O)C(O)=CN1C 4045527 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.119 CC1=C(Cl)C(N)=CC=C1Cl 4028034 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.119 CC1=C(O)C(Br)=CC=C1F 4061539 [0,1,0,0,0,0|2,1,0]=4 33 B10R1.119 CC1=CC=C(N)C(O)=C1C 4033632 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.18 CN1N=C(Cl)NC1=O 4039750 [0,0,0,0,1,0|3,0,0]=4 35 B8R1.50 CC1=NNC(C)=C1O 4045445 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.1 N#CC1=COC(=O)C=C1 4076346 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.2 OCC1=CC(Cl)=NC=C1 4031779 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.2 OCC1=NC=CC(Cl)=C1 4014670 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.3 OC1=C(Cl)C=CC=C1Br 4083176 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.15 CCC1=NC=CNC1=O 4045735 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.15 O=C1NC=CC=C1CO 4021172 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N 4033628 [0,2,0,0,0,0|2,0,0]=4 46 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [0,0,1,1,0,0|2,0,0]=4 47 B7R1.2 O=C1NN=C(Cl)N1 4039793 [1,0,0,0,1,0|2,0,0]=4 48 B7R1.4 CC1=CNN=C1O 4043114 [1,0,0,0,1,0|2,0,0]=4 49 B7R1.4 CC1=NNC=C1Cl 4045387 [1,0,0,0,1,0|2,0,0]=4 50 B7R1.4 NC1=NNC=C1Cl 4029514 [1,0,0,0,1,0|2,0,0]=4