0 B6R1.1 C1=CC=CN=C1 BCP06413 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.1 C1=CCNCC1 BCP09736 [0,0,0,0,0,0|1,0,3]=4 2 B6R1.1 C1=NC=CC=C1 BCP10411 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.1 O1CCC=CC1 BCP23557 [0,0,0,0,0,0|1,0,3]=4 4 B7R1.3 BrC1=CC=NC=C1 BCP05990 [0,1,0,0,0,0|1,0,0]=2 5 B7R1.3 CC1=CC=CC=C1 BCP16202 [0,1,0,0,0,0|0,0,0]=1 6 B7R1.3 ClC1=NC=NC=C1 BCP05785 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.3 FC1=CN=CC=N1 BCP03206 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.3 NC1=NC=CN=C1 BCP13854 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.3 NC1=NC=CN=N1 BCP17595 [0,1,0,0,0,0|3,0,0]=4 10 B7R1.3 NC1=NC=NC=C1 BCP06825 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 NC1=NN=CC=C1 BCP13988 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.3 O=C1C=CC=NN1 BCP04620 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.3 O=C1C=CN=CN1 BCP04213 [0,1,0,0,0,0|2,0,0]=3 14 B7R1.3 O=C1C=CNC=N1 BCP13987 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.3 OC1=CC=NC=C1 BCP08909 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 OC1=NC=CC=N1 BCP01070 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.3 [O-][N+]1=CC=CC=C1 BCP10416 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.2 C=CCCC=C BCP08456 [0,0,1,0,0,0|0,0,2]=3 19 B5R1.1 C1=CCNC1 BCP09734 [0,0,0,0,1,0|1,0,2]=4 20 B5R1.1 C1=NNC=N1 BCP20885 [0,0,0,0,1,0|3,0,0]=4 21 B5R1.1 N1N=NC=C1 BCP18903 [0,0,0,0,1,0|3,0,0]=4 22 B5R1.1 S1N=CC=C1 BCP05147 [0,0,0,0,1,0|2,0,0]=3 23 B6R1.2 BrC1=COC=C1 BCP10263 [0,1,0,0,1,0|1,0,0]=3 24 B6R1.2 BrC1=CSN=C1 BCP09718 [0,1,0,0,1,0|2,0,0]=4 25 B6R1.2 BrC1=NNC=C1 BCP00001 [0,1,0,0,1,0|2,0,0]=4 26 B6R1.2 CC1=CC=NO1 BCP11243 [0,1,0,0,1,0|2,0,0]=4 27 B6R1.2 IC1=CON=C1 BCP07767 [0,1,0,0,1,0|2,0,0]=4 28 B6R1.2 Ic1cnc[nH]1 BCP09637 [0,1,0,0,1,0|2,0,0]=4 29 B6R1.2 NC1=CNC=N1 BCP05277 [0,1,0,0,1,0|2,0,0]=4 30 B6R1.2 O=C1OCC=C1 BCP15247 [0,1,0,0,1,0|1,0,1]=4 31 B6R1.2 O=c1[nH]cc[nH]1 BCP13352 [0,1,0,0,1,0|2,0,0]=4 32 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [0,2,0,0,0,0|1,0,0]=3 33 B8R1.2 NCC1=CC=CN=C1 BCP13872 [0,2,0,0,0,0|1,0,0]=3 34 B8R1.2 NCC1=NC=CC=N1 BCP00118 [0,2,0,0,0,0|2,0,0]=4 35 B8R1.2 NCC1=NN=CC=C1 BCP04627 [0,2,0,0,0,0|2,0,0]=4 36 B8R1.2 OCC1=CC=CN=C1 BCP20084 [0,2,0,0,0,0|1,0,0]=3 37 B8R1.2 OCC1=CN=CN=C1 BCP04747 [0,2,0,0,0,0|2,0,0]=4 38 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [0,2,0,0,0,0|0,0,0]=2 39 B8R1.3 BrC1=CN=C(Br)C=N1 BCP11180 [0,2,0,0,0,0|2,0,0]=4 40 B8R1.3 BrC1=CN=C(C)C=C1 BCP13752 [0,2,0,0,0,0|1,0,0]=3 41 B8R1.3 BrC1=CN=C(C)N=C1 BCP10084 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.3 BrC1=CN=C(I)N=C1 BCP02767 [0,2,0,0,0,0|2,0,0]=4 43 B8R1.3 BrC1=NN=C(Br)C=C1 BCP19349 [0,2,0,0,0,0|2,0,0]=4 44 B8R1.3 CC1=CC=C(Cl)N=C1 BCP19250 [0,2,0,0,0,0|1,0,0]=3 45 B8R1.3 CC1=CN=C(C)C=N1 BCP08618 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.3 CC1=CN=C(Cl)C=N1 BCP18846 [0,2,0,0,0,0|2,0,0]=4 47 B8R1.3 ClC1=CN=C(C=C1)I BCP11362 [0,2,0,0,0,0|1,0,0]=3 48 B8R1.3 ClC1=CN=C(Cl)N=C1 BCP05864 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.3 ClC=1N=CC(=CN1)I BCP15602 [0,2,0,0,0,0|2,0,0]=4 50 B8R1.3 FC1=CC=C(C)N=C1 BCP05119 [0,2,0,0,0,0|1,0,0]=3 51 B8R1.3 NC1=CC=C(C)N=C1 BCP05413 [0,2,0,0,0,0|1,0,0]=3 52 B8R1.3 NC=1C=CC(=CN1)C BCP16835 [0,2,0,0,0,0|1,0,0]=3 53 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [0,2,0,0,0,0|1,0,0]=3 54 B8R1.3 O=C1C=CC(N)=CN1 BCP05414 [0,2,0,0,0,0|1,0,0]=3 55 B8R1.3 O=C1C=NC(C)=CN1 BCP16191 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.3 OC1=CC=C(Br)C=C1 BCP17755 [0,2,0,0,0,0|0,0,0]=2 57 B8R1.3 OC1=CC=C(I)C=C1 BCP14445 [0,2,0,0,0,0|0,0,0]=2 58 B8R1.3 SC1=CC=C(N)C=C1 BCP18598 [0,2,0,0,0,0|0,0,0]=2 59 B8R1.4 BrC1=CC=NC(O)=C1 BCP01174 [0,2,0,0,0,0|1,0,0]=3 60 B8R1.4 BrC1=CN=CC(Br)=C1 BCP07788 [0,2,0,0,0,0|1,0,0]=3 61 B8R1.4 BrC1=NC=NC(=C1)C BCP06890 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.4 C1=C(C=NC=C1Cl)O BCP10855 [0,2,0,0,0,0|1,0,0]=3 63 B8R1.4 CC1=CC=CC(N)=C1 BCP15285 [0,2,0,0,0,0|0,0,0]=2 64 B8R1.4 CC1=CN=CC(Cl)=N1 BCP04702 [0,2,0,0,0,0|2,0,0]=4 65 B8R1.4 Cc1ccnc(c1)N BCP05096 [0,2,0,0,0,0|1,0,0]=3 66 B8R1.4 ClC1=CN=CC(Br)=C1 BCP04458 [0,2,0,0,0,0|1,0,0]=3 67 B8R1.4 ClC1=CN=CC(Cl)=C1 BCP05054 [0,2,0,0,0,0|1,0,0]=3 68 B8R1.4 ClC1=NC=NC(Cl)=C1 BCP16087 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.4 FC1=CC=NC(Cl)=C1 BCP05875 [0,2,0,0,0,0|1,0,0]=3 70 B8R1.4 FC1=CN=CC(Br)=C1 BCP04824 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.4 FC1=NC(F)=CC=N1 BCP07954 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.4 Fc1cccc(n1)Br BCP14733 [0,2,0,0,0,0|1,0,0]=3 73 B8R1.4 IC1=CC(Br)=NC=C1 BCP10632 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.4 IC1=CC(Cl)=NC=C1 BCP13110 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.4 IC1=CC(F)=NC=C1 BCP01627 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.4 NC1=CC(Cl)=NN=C1 BCP04639 [0,2,0,0,0,0|2,0,0]=4 77 B8R1.4 NC1=CC(F)=CC=C1 BCP13758 [0,2,0,0,0,0|0,0,0]=2 78 B8R1.4 NC1=CN=CC(Cl)=C1 BCP11400 [0,2,0,0,0,0|1,0,0]=3 79 B8R1.4 NC1=NC(N)=CN=C1 BCP04701 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.4 OC1=NC=NC(O)=C1 BCP00979 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.4 SC1=CC=CC(N)=C1 BCP18600 [0,2,0,0,0,0|0,0,0]=2 82 B8R1.5 Brc1cccnc1O BCP11402 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.5 CC1=C(N)C=CC=C1 BCP17522 [0,2,0,0,0,0|0,0,0]=2 84 B8R1.5 CC1=NC=CC=C1F BCP04309 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.5 CC1=NC=NC=C1Br BCP19479 [0,2,0,0,0,0|2,0,0]=4 86 B8R1.5 Cc1nccnc1N BCP04706 [0,2,0,0,0,0|2,0,0]=4 87 B8R1.5 ClC1=C(Br)C=NC=C1 BCP10659 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.5 ClC1=C(Cl)C=CC=C1 BCP08071 [0,2,0,0,0,0|0,0,0]=2 89 B8R1.5 ClC1=CC=CN=C1I BCP04456 [0,2,0,0,0,0|1,0,0]=3 90 B8R1.5 FC1=CN=CN=C1Cl BCP07557 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.5 IC1=C(I)C=CC=C1 BCP05858 [0,2,0,0,0,0|0,0,0]=2 92 B8R1.5 IC1=CC=CN=C1Cl BCP03191 [0,2,0,0,0,0|1,0,0]=3 93 B8R1.5 NC1=C(N)N=CN=C1 BCP19378 [0,2,0,0,0,0|2,0,0]=4 94 B8R1.5 NC1=CC=NC=C1Br BCP03800 [0,2,0,0,0,0|1,0,0]=3 95 B8R1.5 NC1=CC=NC=C1F BCP01703 [0,2,0,0,0,0|1,0,0]=3 96 B8R1.5 NC1=NC=CC=C1N BCP04951 [0,2,0,0,0,0|1,0,0]=3 97 B8R1.5 O=C1NC=NC=C1Br BCP00937 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.5 OC1=CC=CC=[N+]1[O-] BCP13006 [0,2,0,0,0,0|1,0,0]=3 99 B8R1.5 SC1=CC=CC=C1Br BCP09623 [0,2,0,0,0,0|0,0,0]=2