0 B15R2.2226 c1ccc(cc1)C(=N)c2ccccc2 PB24516 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N PB10011 [0,0,0,0,0,0|1,0,1]=2 2 B15R2.2226 c1ccc(cc1)C(c2ccncc2)N AB25340 [0,0,0,0,0,0|2,0,1]=3 3 B15R2.2226 c1ccc(cc1)C(c2ncccn2)N AB65356 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.120 c1ccc(cc1)C(=O)c2ccc(nn2)Cl AB44177 [0,1,0,0,0,0|2,0,0]=3 5 B16R2.120 c1ccc(cc1)C(=O)c2ccc(nn2)N AB44178 [0,1,0,0,0,0|2,0,0]=3 6 B16R2.120 c1ccc(cc1)C(c2ccc(cc2)Cl)N CB10161 [0,1,0,0,0,0|1,0,1]=3 7 B16R2.236 c1ccc(cc1)C(c2cccc(c2)Cl)O CB10862 [0,1,0,0,0,0|0,0,2]=3 8 B16R2.3896 c1ccc(cc1)C(=O)c2c(nccn2)Cl AB60413 [0,1,0,0,0,0|2,0,0]=3 9 B16R2.3896 c1ccc(cc1)C(=O)c2c(nccn2)N AB60419 [0,1,0,0,0,0|2,0,0]=3 10 B16R2.3896 c1ccc(cc1)C(=O)c2cccnc2Cl AB13818 [0,1,0,0,0,0|1,0,0]=2 11 B16R3.20606 Cn1c2ccccc2c3c1cncc3 CB12106 [0,0,0,1,0,0|3,0,0]=4 12 B14R2.114 c1ccc(cc1)C(=O)C2=CN=CC2 AB11365 [0,0,0,0,1,0|1,0,1]=3 13 B14R2.114 c1ccc(cc1)C(=O)C2=CN=NC2 MB02168 [0,0,0,0,1,0|2,0,1]=4 14 B14R2.114 c1ccc(cc1)C(=O)C2=NC=CC2 MB00640 [0,0,0,0,1,0|1,0,1]=3 15 B14R2.114 c1ccc(cc1)C(=O)C2=NC=NC2 MB01607 [0,0,0,0,1,0|2,0,1]=4 16 B14R2.114 c1ccc(cc1)C(=O)C2=NN=CC2 MB69082 [0,0,0,0,1,0|2,0,1]=4 17 B14R2.114 c1ccc(cc1)C(=O)c2ccco2 MB00628 [0,0,0,0,1,0|1,0,0]=2 18 B14R2.114 c1ccc(cc1)C(=O)c2ccoc2 MB02020 [0,0,0,0,1,0|1,0,0]=2 19 B14R2.114 c1ccc(cc1)C(=O)c2ccsc2 MB00688 [0,0,0,0,1,0|1,0,0]=2 20 B16R2.88 c1ccc(cc1)CC(=O)c2ccccn2 AB01371 [0,0,0,0,0,1|1,0,0]=2 21 B16R2.88 c1ccc(cc1)CC(=O)c2cccnc2 AB07823 [0,0,0,0,0,1|1,0,0]=2 22 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 MB00323 [0,0,0,0,0,1|1,0,0]=2 23 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)Br AB42496 [1,1,0,0,0,0|1,0,0]=3 24 B15R2.29 c1ccc(cc1)Nc2ccc(cn2)Br MB11975 [1,1,0,0,0,0|2,0,0]=4 25 B15R2.29 c1ccc(cc1)Nc2ccc(nc2)Br MB14031 [1,1,0,0,0,0|2,0,0]=4 26 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)S AB06090 [1,1,0,0,0,0|1,0,0]=3 27 B15R2.29 c1ccc(cc1)Oc2ccc(cn2)N AB09766 [1,1,0,0,0,0|2,0,0]=4 28 B15R2.31 c1ccc(cc1)C[n+]2cccc(c2)O AB01082 [1,1,0,0,0,0|1,0,1]=4 29 B15R2.31 c1ccc(cc1)C[n+]2cccc(c2)O AB07926 [1,1,0,0,0,0|1,0,1]=4 30 B15R2.31 c1ccc(cc1)Nc2cc(ccn2)Br MB14002 [1,1,0,0,0,0|2,0,0]=4 31 B15R2.31 c1ccc(cc1)Nc2cc(cnc2)Br MB14020 [1,1,0,0,0,0|2,0,0]=4 32 B15R2.31 c1ccc(cc1)Nc2cccc(n2)Br MB01054 [1,1,0,0,0,0|2,0,0]=4 33 B15R2.31 c1ccc(cc1)Nc2cccc(n2)Cl MB13525 [1,1,0,0,0,0|2,0,0]=4 34 B15R2.31 c1ccc(cc1)Nc2ccnc(c2)Br MB14044 [1,1,0,0,0,0|2,0,0]=4 35 B15R2.31 c1ccc(cc1)Oc2cccc(n2)Br AB09566 [1,1,0,0,0,0|2,0,0]=4 36 B15R2.91 c1cc(ccc1C(=O)C2=NC=CC2)Cl AB03260 [0,1,0,0,1,0|1,0,1]=4 37 B15R2.297 Cn1cc(cn1)C(=O)c2ccccc2 MB06545 [0,1,0,0,1,0|2,0,0]=4 38 B15R2.297 Cn1ccc(c1)C(=O)c2ccccc2 MB69076 [0,1,0,0,1,0|1,0,0]=3 39 B15R2.395 Cn1c(ccn1)C(=O)c2ccccc2 MB01260 [0,1,0,0,1,0|2,0,0]=4 40 B15R2.395 Cn1cccc1C(=O)c2ccccc2 MB69074 [0,1,0,0,1,0|1,0,0]=3 41 B15R2.1108 c1cc(cc(c1)Cl)C(=O)C2=NC=CC2 AB52881 [0,1,0,0,1,0|1,0,1]=4 42 B17R2.162 c1ccc(cc1)C(CN)Oc2ccccc2 AB39060 [0,1,0,0,0,1|1,0,1]=4 43 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccncc2 AB18193 [0,1,0,0,0,1|1,0,0]=3 44 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)Br AB18231 [0,1,0,0,0,1|1,0,0]=3 45 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)Cl AB16916 [0,1,0,0,0,1|1,0,0]=3 46 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)F AB13054 [0,1,0,0,0,1|1,0,0]=3 47 B17R2.192 c1cc(ccc1C(=O)Cc2ccncn2)F AB18202 [0,1,0,0,0,1|2,0,0]=4 48 B17R2.209 c1cc(ccc1CC(=O)c2ccncc2)F AB18168 [0,1,0,0,0,1|1,0,0]=3 49 B17R2.209 c1cc(cnc1)C(=O)Cc2ccc(cc2)Cl AB50434 [0,1,0,0,0,1|1,0,0]=3 50 B17R2.3417 c1ccc(c(c1)C(=O)Cc2ccncc2)Cl AB18198 [0,1,0,0,0,1|1,0,0]=3 51 B17R2.3426 Cc1ccccc1CC(=O)c2cccnc2 AB50439 [0,1,0,0,0,1|1,0,0]=3 52 B17R2.3426 c1ccc(c(c1)CC(=O)c2cccnc2)Cl AB50424 [0,1,0,0,0,1|1,0,0]=3 53 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccncc2 AB18197 [0,1,0,0,0,1|1,0,0]=3 54 B17R2.5273 c1ccc(cc1)NC(=O)c2ccnc(c2)Cl MB07734 [0,1,0,0,0,1|1,0,0]=3 55 B17R2.5293 Cc1cccc(c1)CC(=O)c2cccnc2 AB50445 [0,1,0,0,0,1|1,0,0]=3 56 B17R2.5293 c1cc(cc(c1)Cl)CC(=O)c2cccnc2 AB50430 [0,1,0,0,0,1|1,0,0]=3 57 B17R2.10205 c1ccc(cc1)C(=O)C(=O)c2cccnc2 AB50400 [0,1,0,0,0,1|1,0,0]=3 58 B17R2.217 c1cc(ncc1Br)C(=O)c2ccc(cn2)Br AB29278 [0,2,0,0,0,0|2,0,0]=4 59 B17R2.5356 c1ccc(cc1)C(=O)c2c(ncc(n2)Cl)N AB60424 [0,2,0,0,0,0|2,0,0]=4 60 B15R2.17 c1ccc(cc1)c2cccc(c2)C=O AB09890 [0,0,1,1,0,0|2,0,0]=4 61 B17R3.8708 c1ccc(cc1)c2cn3ccccc3n2 AB04929 [0,0,0,1,0,1|2,0,0]=4 62 B17R3.8708 c1ccc2c(c1)nc(o2)c3ccccn3 MB01311 [0,0,0,1,0,1|1,0,1]=4 63 B17R3.8 c1ccc(cc1)n2c3ccccc3cn2 MB00797 [0,1,0,1,0,0|2,0,0]=4 64 B17R3.8 c1ccc(cc1)n2cnc3c2cccc3 CB10424 [0,1,0,1,0,0|2,0,0]=4 65 B17R3.182920 c1ccc2c(c1)-c3ccccc3C2CN AB30286 [0,1,0,1,0,0|1,0,1]=4 66 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2F MB06862 [0,1,0,1,0,0|1,0,0]=3 67 B15R2.2195 c1ccc(cc1)COc2ccncc2 AB43755 [1,0,0,0,0,1|1,0,1]=4