0 B5R1.1 C1=CSN=C1 4036435 [0,0,0,0,0,0|1,0,1]=2 1 B5R1.1 C1CNOC1 4013261 [0,0,0,0,0,0|1,0,3]=4 2 B6R1.2 BrC1=CNN=N1 4036633 [0,1,0,0,0,0|2,0,0]=3 3 B6R1.2 BrC1=CSC=N1 4108309 [0,1,0,0,0,0|1,0,1]=3 4 B6R1.2 BrC1=CSN=C1 4039606 [0,1,0,0,0,0|1,0,1]=3 5 B6R1.2 BrC1=NC=CO1 4039122 [0,1,0,0,0,0|1,0,1]=3 6 B6R1.2 CC1=NNC=N1 4035655 [0,1,0,0,0,0|2,0,0]=3 7 B6R1.2 ClC1=NN=CS1 4044890 [0,1,0,0,0,0|2,0,1]=4 8 B6R1.2 ClC1=NNC=N1 4017309 [0,1,0,0,0,0|2,0,0]=3 9 B6R1.2 ClC1=NSN=C1 4085357 [0,1,0,0,0,0|2,0,1]=4 10 B6R1.2 IC1=NN=CN1 4036276 [0,1,0,0,0,0|2,0,0]=3 11 B6R1.2 NC1=NN=CO1 4044829 [0,1,0,0,0,0|2,0,1]=4 12 B6R1.2 NC1=NNN=C1 4013407 [0,1,0,0,0,0|2,0,0]=3 13 B6R1.2 NC1=NOC=C1 4034713 [0,1,0,0,0,0|1,0,1]=3 14 B6R1.2 NN1C=NN=C1 4036701 [0,1,0,0,0,0|2,0,0]=3 15 B6R1.2 O=C1NC=CN1 4029600 [0,1,0,0,0,0|1,0,0]=2 16 B6R1.2 OC1=CNN=C1 4037184 [0,1,0,0,0,0|1,0,0]=2 17 B6R1.2 OC1=NN=CO1 4044051 [0,1,0,0,0,0|2,0,1]=4 18 B6R1.2 OC1=NN=CS1 4044252 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.2 C=C=CCN 4085485 [0,0,1,0,0,0|0,0,2]=3 20 B6R1.1 C1=CCONC1 4044151 [0,0,0,0,0,1|0,0,2]=3 21 B5R0.1 C=C(C)CNN 4045392 [0,1,1,0,0,0|1,0,1]=4 22 B5R0.2 C=CCCCN 4075680 [0,1,1,0,0,0|0,0,2]=4 23 B5R0.2 C=CCCNC 4110731 [0,1,1,0,0,0|0,0,2]=4 24 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,0,0,1|0,0,2]=4 25 B7R1.3 NC1=NN=CC=C1 4030375 [0,1,0,0,0,1|0,0,1]=3 26 B7R1.1 BrCC1=NC=CS1 4044498 [0,2,0,0,0,0|1,0,1]=4 27 B7R1.1 CCC1=CNN=C1 4044718 [0,2,0,0,0,0|1,0,0]=3 28 B7R1.1 CCC1=NNC=C1 4042936 [0,2,0,0,0,0|1,0,0]=3 29 B7R1.1 CCC1=NNC=N1 4034840 [0,2,0,0,0,0|2,0,0]=4 30 B7R1.1 CCC1C=CCN1 4030606 [0,2,0,0,0,0|0,0,2]=4 31 B7R1.1 ClCC1=CN=CS1 4901510 [0,2,0,0,0,0|1,0,1]=4 32 B7R1.1 ClCC1=CNC=N1 4014209 [0,2,0,0,0,0|1,0,0]=3 33 B7R1.1 ClCC1=CSC=N1 4034757 [0,2,0,0,0,0|1,0,1]=4 34 B7R1.1 ClCC1=NC=CS1 4016914 [0,2,0,0,0,0|1,0,1]=4 35 B7R1.1 N#CC1=CN=CS1 4045875 [0,2,0,0,0,0|1,0,1]=4 36 B7R1.1 NCC1=CC=NN1 2102294 [0,2,0,0,0,0|1,0,0]=3 37 B7R1.1 NCC1=CC=NO1 2102257 [0,2,0,0,0,0|1,0,1]=4 38 B7R1.1 NCC1=CSC=C1 4089439 [0,2,0,0,0,0|1,0,0]=3 39 B7R1.1 NCC1=CSC=C1 4100798 [0,2,0,0,0,0|1,0,0]=3 40 B7R1.1 NCC1=CSC=N1 2102330 [0,2,0,0,0,0|1,0,1]=4 41 B7R1.1 NCC1=NC=CN1 4087964 [0,2,0,0,0,0|1,0,0]=3 42 B7R1.1 NCC1=NC=CN1 4101394 [0,2,0,0,0,0|1,0,0]=3 43 B7R1.1 NCC1=NC=CS1 2102321 [0,2,0,0,0,0|1,0,1]=4 44 B7R1.1 NCC1=NC=NN1 2102311 [0,2,0,0,0,0|2,0,0]=4 45 B7R1.1 OCC1=CNN=C1 4043566 [0,2,0,0,0,0|1,0,0]=3 46 B7R1.1 OCC1=NC=NN1 4110650 [0,2,0,0,0,0|2,0,0]=4 47 B7R1.1 OCC1C=CCN1 4029232 [0,2,0,0,0,0|0,0,2]=4 48 B7R1.2 BrC1=CC(Br)=NN1 4109657 [0,2,0,0,0,0|1,0,0]=3 49 B7R1.2 CC1=NC(Br)=NN1 4035332 [0,2,0,0,0,0|2,0,0]=4 50 B7R1.2 CC1=NC(Cl)=NN1 4018522 [0,2,0,0,0,0|2,0,0]=4 51 B7R1.2 CC1=NN=C(C)N1 4030190 [0,2,0,0,0,0|2,0,0]=4 52 B7R1.2 CC1=NN=C(O)N1 4045236 [0,2,0,0,0,0|2,0,0]=4 53 B7R1.2 CC1=NNC(Br)=C1 4074511 [0,2,0,0,0,0|1,0,0]=3 54 B7R1.2 CC1=NNC(Cl)=C1 4029847 [0,2,0,0,0,0|1,0,0]=3 55 B7R1.2 CN1C=C(Br)C=N1 4004341 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.2 CN1C=C(N)C=N1 4019265 [0,2,0,0,0,0|1,0,0]=3 57 B7R1.2 CN1C=C(N)C=N1 4089175 [0,2,0,0,0,0|1,0,0]=3 58 B7R1.2 CN1C=C(N)N=N1 4013406 [0,2,0,0,0,0|2,0,0]=4 59 B7R1.2 CN1C=CC(Br)=N1 4036169 [0,2,0,0,0,0|1,0,0]=3 60 B7R1.2 CN1C=NC(Br)=N1 4045232 [0,2,0,0,0,0|2,0,0]=4 61 B7R1.2 CN1C=NC(Cl)=C1 4039772 [0,2,0,0,0,0|1,0,0]=3 62 B7R1.2 CN1C=NC(Cl)=N1 4045723 [0,2,0,0,0,0|2,0,0]=4 63 B7R1.2 CN1C=NC(N)=N1 4002752 [0,2,0,0,0,0|2,0,0]=4 64 B7R1.2 ClC1=NNC(Br)=N1 4044701 [0,2,0,0,0,0|2,0,0]=4 65 B7R1.2 ClC1=NNC(Cl)=N1 4040447 [0,2,0,0,0,0|2,0,0]=4 66 B7R1.2 NC1=CC(O)=NO1 4085320 [0,2,0,0,0,0|1,0,1]=4 67 B7R1.2 NC1=NNC(Br)=N1 4018525 [0,2,0,0,0,0|2,0,0]=4 68 B7R1.2 O=C1NN=C(Cl)N1 4039793 [0,2,0,0,0,0|2,0,0]=4 69 B7R1.2 OC1=NC(Br)=NN1 4040511 [0,2,0,0,0,0|2,0,0]=4 70 B7R1.4 CC1=C(Br)N=CS1 4040458 [0,2,0,0,0,0|1,0,1]=4 71 B7R1.4 CC1=C(N)C=NN1 4033144 [0,2,0,0,0,0|1,0,0]=3 72 B7R1.4 CC1=CNN=C1O 4043114 [0,2,0,0,0,0|1,0,0]=3 73 B7R1.4 CC1=NN=CN1N 4040061 [0,2,0,0,0,0|2,0,0]=4 74 B7R1.4 CC1=NN=CN1N 4091143 [0,2,0,0,0,0|2,0,0]=4 75 B7R1.4 CC1=NNC=C1Cl 4045387 [0,2,0,0,0,0|1,0,0]=3 76 B7R1.4 CN1C=CN=C1N 4034680 [0,2,0,0,0,0|1,0,0]=3 77 B7R1.4 CN1C=CN=C1N 4085296 [0,2,0,0,0,0|1,0,0]=3 78 B7R1.4 CN1C=CNC1=O 4044124 [0,2,0,0,0,0|1,0,0]=3 79 B7R1.4 CN1N=CC=C1Br 4035636 [0,2,0,0,0,0|1,0,0]=3 80 B7R1.4 CN1N=CN=C1Br 4035328 [0,2,0,0,0,0|2,0,0]=4 81 B7R1.4 CN1N=CN=C1Cl 4045718 [0,2,0,0,0,0|2,0,0]=4 82 B7R1.4 CN1N=CN=C1N 4041869 [0,2,0,0,0,0|2,0,0]=4 83 B7R1.4 NC1=C(N)NN=C1 4043840 [0,2,0,0,0,0|1,0,0]=3 84 B7R1.4 NC1=NNC=C1Cl 4029514 [0,2,0,0,0,0|1,0,0]=3