0 B15R2.2226 O=C(c1ccccc1)c2cccnc2 M27298 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 M21556 [1,0,0,0,0,0|1,0,0]=2 2 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 M10088 [1,0,0,0,0,0|1,0,0]=2 3 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 M11654 [1,0,0,0,0,0|1,0,0]=2 4 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(O)C=C2 M10481 [0,1,0,0,0,0|0,0,0]=1 5 B16R2.187 N#CC(C1=CC=CC=C1)C2=CC=CC=C2 M16244 [0,1,0,0,0,0|1,0,1]=3 6 B16R2.2945 ClC(Cl)(C1=CC=CC=C1)C2=CC=CC=C2 M13183 [0,1,0,0,0,0|1,0,1]=3 7 B16R2.3896 CC1=CC=CC=C1C(O)C2=CC=CC=C2 M14968 [0,1,0,0,0,0|0,0,2]=3 8 B16R2.3896 O=C(C1=CC=CC=C1)C2=CC=CC=C2Cl M14797 [0,1,0,0,0,0|0,0,0]=1 9 B16R3.20606 C1(O)c2ccccc2-c3ccccc31 M22199 [0,0,0,1,0,0|0,0,2]=3 10 B16R3.20606 O=C1C2=NC=CC=C2C3=CC=CN=C13 M22368 [0,0,0,1,0,0|2,0,0]=3 11 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 M27254 [0,0,0,0,0,1|0,0,0]=1 12 B16R2.88 O=C(Oc1ccccc1)c2ccccc2 M20368 [0,0,0,0,0,1|0,0,0]=1 13 B16R2.88 S=C(NC1=NC=CC=C1)C2=NC=CC=C2 M14346 [0,0,0,0,0,1|2,1,0]=4 14 B17R2.3417 O=C(NC1=CC=CC=C1)C2=CC=CC=C2I M18068 [0,1,0,0,0,1|0,0,0]=2 15 B17R2.3417 O=C(NC1=CC=CC=C1)C2=CC=CC=C2O M16336 [0,1,0,0,0,1|0,0,0]=2 16 B17R2.3417 O=C(OC1=CC=CC=C1)C2=CC=CC=C2O M23354 [0,1,0,0,0,1|0,0,0]=2 17 B17R2.3426 NC1=CC=CC=C1NC(=O)C2=NC=CN=C2 M16637 [0,1,0,0,0,1|2,0,0]=4 18 B17R2.5293 O=C(Nc1cccc(Cl)c1)c2ccccn2 M18900 [0,1,0,0,0,1|1,0,0]=3 19 B17R2.10205 O=C(c1ccccc1)C(O)c2ccccc2 M17869 [0,1,0,0,0,1|0,0,0]=2 20 B17R2.20249 CC(N)(Cc1ccccc1)c2ccccc2 M28417 [0,1,0,0,0,1|1,0,1]=4 21 B17R2.203 CC(C)(c1ccccc1)c2ccc(O)cc2 M20348 [0,2,0,0,0,0|1,0,1]=4 22 B17R2.217 O=C(C1=CC=C(O)C=C1)C2=CC=C(Cl)C=C2 M14432 [0,2,0,0,0,0|0,0,0]=2 23 B17R2.381 Nc1ccccc1C(=O)c2ccc(F)cc2 M21549 [0,2,0,0,0,0|0,0,0]=2 24 B17R2.381 O=C(c1ccc(O)cc1)c2ccccc2O M18881 [0,2,0,0,0,0|0,0,0]=2 25 B17R2.5362 O=C(C1=CC=CC=C1)C2=CC=C(O)C=C2O M23476 [0,2,0,0,0,0|0,0,0]=2 26 B17R2.159 NCCC(C1=CC=CC=C1)C2=CC=CC=C2 M15033 [0,2,0,0,0,0|1,0,1]=4 27 B17R2.5356 NC1=C(C(=O)C2=CC=CC=C2)C=C(Cl)C=C1 M15753 [0,2,0,0,0,0|0,0,0]=2 28 B15R3.3 C1=CC=C2C(=C1)NC3=CC=CC=C32 M16304 [1,0,0,1,0,0|1,0,0]=3 29 B15R3.3 C1=CC=C2C(=C1)SC3=CC=CC=C32 M11305 [1,0,0,1,0,0|1,0,0]=3 30 B15R3.3 c1ccc-2c(c1)[I+]c3ccccc32 M20682 [1,0,0,1,0,0|1,0,0]=3 31 B17R3.54615 Oc1cc2ccccc2c3ccccc13 M27598 [0,0,0,1,0,1|0,0,1]=3 32 B17R3.182920 CCn1c2ccccc2c3ccccc31 M27266 [0,1,0,1,0,0|2,0,0]=4 33 B17R3.35227 C[n+]1c2ccccc2nc3ccccc31 M21184 [0,1,0,1,0,0|2,0,0]=4 34 B17R3.35227 NC1=C2C=CC=CC2=NC3=CC=CC=C31 M16505 [0,1,0,1,0,0|1,0,0]=3 35 B17R3.35227 O=C1c2ccccc2Nc3ccccc31 M24570 [0,1,0,1,0,0|0,0,0]=2 36 B17R3.35227 O=c1c2ccccc2oc3ccccc13 M19249 [0,1,0,1,0,0|0,0,0]=2 37 B17R3.35227 OC1c2ccccc2Oc3ccccc31 M19248 [0,1,0,1,0,0|0,0,2]=4 38 B15R2.2195 C(#Cc1cccnc1)c2ccccc2 M28450 [1,0,0,0,0,1|1,0,1]=4 39 B15R2.2195 C(=C\c1ccccc1)/c2ccccc2 M29238 [1,0,0,0,0,1|0,0,0]=2 40 B15R2.2195 C(=N\c1ccccc1)/c2ccccc2 M27245 [1,0,0,0,0,1|0,0,0]=2 41 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 M10161 [1,0,0,0,0,1|0,0,1]=3 42 B15R2.2195 C1=CC=C(NNC2=CC=CC=C2)C=C1 M19492 [1,0,0,0,0,1|1,0,0]=3 43 B15R2.2195 C1=CC=C(\N=N\C2=CC=CC=C2)C=C1 M10162 [1,0,0,0,0,1|1,0,0]=3 44 B15R2.64 N=C(Nc1ccccc1)c2cccs2 M28448 [0,0,0,0,1,1|2,0,0]=4 45 B15R2.64 O=C(NC1=CN=CC=C1)C2=CC=CS2 M15357 [0,0,0,0,1,1|2,0,0]=4 46 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 M27346 [0,0,0,0,0,2|2,0,0]=4 47 B17R2.143 N\C(=N/C1=CC=CC=C1)NC2=CC=CC=C2 M23227 [0,0,0,0,0,2|1,0,0]=3 48 B17R2.143 O=C(Nc1ccccc1)Nc2ccccc2 M17755 [0,0,0,0,0,2|0,0,0]=2 49 B17R2.2342 O=C(NNC1=CC=CC=C1)C2=CC=NC=C2 M16567 [0,0,0,0,0,2|1,0,0]=3 50 B17R2.2342 O=C(NNC1=NC=CC=C1)C2=NC=CC=C2 M24526 [0,0,0,0,0,2|2,0,0]=4 51 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2 M10750 [0,0,0,0,0,2|0,0,0]=2 52 B17R2.2342 O=C(OCc1ccccc1)c2cccnc2 M21002 [0,0,0,0,0,2|1,0,0]=3 53 B17R2.2342 O=C(\C=C\C1=CN=CC=C1)C2=CC=NC=C2 M11318 [0,0,0,0,0,2|2,0,0]=4 54 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 M18903 [0,0,0,0,0,2|0,0,0]=2 55 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 M19950 [0,0,0,0,0,2|0,0,0]=2 56 B17R2.2342 O=C(\C=C\c1cccnc1)c2ccncc2 M23844 [0,0,0,0,0,2|2,0,0]=4