0 B18R3.570036 NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1 SBB003182 [0,0,0,0,0,0|0,0,0]=0 1 B18R3.570036 NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1 SBB072167 [0,0,0,0,0,0|0,0,0]=0 2 B18R3.570036 NC1=CC=C2C=C3C=CC(N)=CC3=NC2=C1 SBB061729 [0,0,0,0,0,0|0,0,0]=0 3 B18R3.570036 O=C1C=CC2=NC3=CC=C(O)C=C3OC2=C1 SBB012415 [0,0,0,0,0,0|4,0,0]=4 4 B18R3.570036 [NH+]1=C2C=C(N)C=CC2=CC3=C1C=C(N)C=C3 SBB058274 [0,0,0,0,0,0|0,0,1]=1 5 B17R3.3205 ClC1=CC2=C(C=C1)SC3=CC=CC=C3N2 SBB003255 [1,0,0,0,0,0|2,0,1]=4 6 B17R3.3205 NC1=CC2=C(C=C1)C=C3C=CC=CC3=C2 SBB003612 [1,0,0,0,0,0|1,0,0]=2 7 B19R3.1560118 CNC1=CC2=C(C=C1)N=C3C=CC(N)=CC3=[SH]2 SBB001123 [0,1,0,0,0,0|2,0,0]=3 8 B19R3.2152927 C[N+]1=C2C=C(N)C=CC2=CC3=CC=C(N)C=C31 SBB003092 [0,1,0,0,0,0|0,0,1]=2 9 B19R3.2152927 NC1=CC2=C(C=C1)SC3=CC=C(Cl)C=C3C2=O SBB072943 [0,1,0,0,0,0|3,0,0]=4 10 B17R2.465 NC1=CC=C(OC2=CC=C(F)C=C2)C(Cl)=C1 SBB024405 [0,0,1,0,0,0|3,0,0]=4 11 B17R2.465 NC1=CC=C(OC2=CC=C(F)C=C2)C(F)=C1 SBB024432 [0,0,1,0,0,0|3,0,0]=4 12 B17R3.30284 BrC1=CC2=C(C=C1)C3=C(C=C(Br)C=C3)C2 SBB007691 [0,0,0,0,1,0|3,0,0]=4 13 B17R3.30284 NC1=CC2=C(C=C1)C3=C(C=C(Br)C=C3)C2 SBB059722 [0,0,0,0,1,0|2,0,0]=3 14 B17R3.30284 NC1=CC=C2C(=C1)CC3=CC(N)=CC=C32 SBB050401 [0,0,0,0,1,0|1,0,0]=2 15 B17R3.31627 BrC1=CC=C2CC3=C(C=C(Br)C=C3)C2=C1 SBB012547 [0,0,0,0,1,0|2,0,1]=4 16 B16R2.33 CC1=CC=C(OC2=CC=C(N)C=C2)C=C1 SBB042803 [1,0,1,0,0,0|2,0,0]=4 17 B16R2.33 CC1=CC=C(SC2=CC=C(N)C=C2)C=C1 SBB051717 [1,0,1,0,0,0|2,0,0]=4 18 B16R2.33 NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 SBB058722 [1,0,1,0,0,0|0,0,1]=3 19 B16R2.33 NC1=CC=C(OC2=CC=C(F)C=C2)C=C1 SBB009577 [1,0,1,0,0,0|2,0,0]=4 20 B16R2.33 NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 SBB003546 [1,0,1,0,0,0|1,0,0]=3 21 B16R2.33 NC1=CC=C(SC2=CC=C(F)C=C2)C=C1 SBB095802 [1,0,1,0,0,0|2,0,0]=4 22 B16R2.33 NC1=CC=C(SC2=CC=C(N)C=C2)C=C1 SBB048127 [1,0,1,0,0,0|1,0,0]=3 23 B16R2.312 NC1=CC=C(OC2=CC=CC=C2)C(Cl)=C1 SBB022468 [1,0,1,0,0,0|2,0,0]=4 24 B16R2.312 NC1=CC=C(OC2=CC=CC=C2)C(F)=C1 SBB024430 [1,0,1,0,0,0|2,0,0]=4 25 B16R2.1129 NC1=CC=C(OC2=C(F)C=CC=C2)C=C1 SBB013912 [1,0,1,0,0,0|2,0,0]=4 26 B16R2.1129 NC1=CC=C(OC2=CC=CC=C2Cl)C=C1 SBB022460 [1,0,1,0,0,0|2,0,0]=4 27 B16R2.477 O=C(O)\C=C\C1=CC2=C(C=CC=C2)N=C1 SBB059406 [1,0,1,0,0,0|2,0,0]=4 28 B16R2.251 NC1=CC=CC(CC2=CC=CC(N)=C2)=C1 SBB092337 [1,0,1,0,0,0|1,0,0]=3 29 B16R3.1720 C1=CC2=C(C=C1)OC3=C(C=CC=C3)C2 SBB059332 [2,0,0,0,0,0|1,0,1]=4 30 B16R3.1720 C1=CC2=C(C=C1)SC3=C(C=CC=C3)C2 SBB059191 [2,0,0,0,0,0|1,0,1]=4 31 B16R3.1720 C1=CC2=C(C=C1)SC3=C(C=CC=C3)N2 SBB056680 [2,0,0,0,0,0|1,0,1]=4 32 B16R3.1720 C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 SBB058663 [2,0,0,0,0,0|1,0,0]=3 33 B16R3.1720 C1=CC=C2SC3=C(C=CC=C3)OC2=C1 SBB057650 [2,0,0,0,0,0|2,0,0]=4 34 B18R3.3608 NC1=CC2=C(C=C1O)N=C3C=CC=CC3=N2 SBB027379 [1,1,0,0,0,0|1,0,0]=3 35 B18R3.52086 NC1=CC=C2SC3=C(C=CC=C3)C(=O)C2=C1 SBB005686 [1,1,0,0,0,0|2,0,0]=4 36 B18R3.99697 O=C1C2=C(C=CC=C2)OC3=C1C=CC(O)=C3 SBB067265 [1,1,0,0,0,0|2,0,0]=4 37 B20R3.2800057 NC1=CC2=[S+]C3=C(C=CC(N(C)C)=C3)N=C2C=C1 SBB002984 [0,2,0,0,0,0|2,0,0]=4 38 B20R3.2800087 NC1=CC2=C(C=C1)CC3=C(C=C(N)C=C3)S2(=O)=O SBB072393 [0,2,0,0,0,0|1,0,1]=4 39 B16R3.2583 BrC1=CC2=C(C=C1)NC3=C2C=CC=C3 SBB054664 [1,0,0,0,1,0|2,0,0]=4 40 B16R3.2583 NC1=CC=C2NC3=C(C=CC=C3)C2=C1 SBB010689 [1,0,0,0,1,0|1,0,0]=3 41 B16R3.2637 FC1=CC2=C(C=C1)C3=C(C=CC=C3)C2 SBB090176 [1,0,0,0,1,0|2,0,0]=4 42 B16R3.2637 IC1=CC2=C(C=C1)C3=CC=CC=C3C2 SBB054662 [1,0,0,0,1,0|2,0,0]=4 43 B16R3.2637 NC1=CC2=C(C=C1)C3=C(C=CC=C3)O2 SBB007329 [1,0,0,0,1,0|1,0,0]=3 44 B16R3.2637 NC1=CC=C2C(=C1)CC3=C2C=CC=C3 SBB003742 [1,0,0,0,1,0|1,0,0]=3 45 B16R3.2637 OC1=CC2=C(C=C1)C3=C(C=CC=C3)N2 SBB056583 [1,0,0,0,1,0|1,0,1]=4 46 B18R3.4127 NC1=CC=C2OC3=CC=CC=C3OCC2=C1 SBB072456 [1,0,0,0,0,1|2,0,0]=4 47 B18R3.32275 NC1=CC2=C(C=C1)C=CC3=C(C=CC=C3)O2 SBB013194 [1,0,0,0,0,1|1,0,0]=3