0 B15R2.2195 C(#Cc1cccnc1)c2ccccc2 M28450 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.2195 C(=C\c1ccccc1)/c2ccccc2 M29238 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.2195 C(=N\c1ccccc1)/c2ccccc2 M27245 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 M10161 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.2195 C1=CC=C(NNC2=CC=CC=C2)C=C1 M19492 [0,0,0,0,0,0|2,0,0]=2 5 B15R2.2195 C1=CC=C(SSC2=CC=CC=N2)N=C1 M21726 [0,0,0,0,0,0|2,0,0]=2 6 B15R2.2195 C1=CC=C(\N=N\C2=CC=CC=C2)C=C1 M10162 [0,0,0,0,0,0|2,0,0]=2 7 B16R2.71 OC1=CC=CC=C1NCC2=CC=CC=N2 M10104 [0,1,0,0,0,0|3,0,0]=4 8 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 M27254 [0,1,0,0,0,0|2,0,0]=3 9 B16R2.88 O=C(Oc1ccccc1)c2ccccc2 M20368 [0,1,0,0,0,0|1,1,0]=3 10 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)C=C1 M10153 [0,1,0,0,0,0|1,1,0]=3 11 B16R2.252 CC1=NC(C#CC2=CC=CC=C2)=CC=C1 M19286 [0,1,0,0,0,0|3,0,0]=4 12 B16R2.252 Cc1cccc(C#Cc2ccccc2)n1 M18248 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 M21556 [0,0,0,0,1,0|1,0,0]=2 14 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 M10088 [0,0,0,0,1,0|0,1,0]=2 15 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 M11654 [0,0,0,0,1,0|0,0,0]=1 16 B16R2.2256 c1ccc(CNCc2ccccc2)cc1 M27268 [0,0,0,0,0,1|2,0,0]=3 17 B15R2.2226 O=C(c1ccccc1)c2cccnc2 M27298 [0,1,0,0,1,0|2,0,0]=4 18 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 M27346 [0,1,0,0,0,1|2,0,0]=4 19 B17R2.143 N\C(=N/C1=CC=CC=C1)NC2=CC=CC=C2 M23227 [0,1,0,0,0,1|2,0,0]=4 20 B17R2.143 O=C(Nc1ccccc1)Nc2ccccc2 M17755 [0,1,0,0,0,1|2,0,0]=4 21 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2 M10750 [0,1,0,0,0,1|1,1,0]=4 22 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 M18903 [0,1,0,0,0,1|2,0,0]=4 23 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 M19950 [0,1,0,0,0,1|2,0,0]=4 24 B17R2.3417 O=C(NC1=CC=CC=C1)C2=CC=CC=C2I M18068 [0,2,0,0,0,0|2,0,0]=4 25 B17R2.3417 O=C(NC1=CC=CC=C1)C2=CC=CC=C2O M16336 [0,2,0,0,0,0|2,0,0]=4 26 B17R2.3417 O=C(OC1=CC=CC=C1)C2=CC=CC=C2O M23354 [0,2,0,0,0,0|1,1,0]=4 27 B17R2.5121 [O-][n+]1ccccc1SSc2cccc[n+]2[O-] M21147 [0,2,0,0,0,0|2,0,0]=4 28 B17R2.10205 O=C(c1ccccc1)C(O)c2ccccc2 M17869 [0,2,0,0,0,0|2,0,0]=4 29 B17R2.20249 CC(N)(Cc1ccccc1)c2ccccc2 M28417 [0,2,0,0,0,0|2,0,0]=4 30 B17R2.3212 OC1=CC(O)=CC(\C=C\C2=CC=CC=C2)=C1 M13529 [0,2,0,0,0,0|2,0,0]=4 31 B17R2.3212 Oc1cc(O)cc(CCc2ccccc2)c1 M23619 [0,2,0,0,0,0|2,0,0]=4 32 B15R3.3 C1=CC=C2C(=C1)NC3=CC=CC=C32 M16304 [0,0,0,1,1,0|1,0,0]=3 33 B15R3.3 C1=CC=C2C(=C1)SC3=CC=CC=C32 M11305 [0,0,0,1,1,0|0,0,0]=2 34 B15R3.3 c1ccc-2c(c1)[I+]c3ccccc32 M20682 [0,0,0,1,1,0|1,0,0]=3 35 B17R3.1830 C1=CC=C2NC3=CC=CC=C3C=CC2=C1 M13776 [0,1,0,1,0,0|2,0,0]=4 36 B17R3.1830 C1=CC=C2NC3=CC=CC=C3CCC2=C1 M14655 [0,1,0,1,0,0|2,0,0]=4 37 B17R3.54615 Oc1cc2ccccc2c3ccccc13 M27598 [0,1,0,1,0,0|2,0,0]=4 38 B17R2.2382 c1ccc(CCNCc2ccccc2)cc1 M22262 [0,0,0,0,0,2|2,0,0]=4