0 B13R2.10 c1ccc(cc1)C2=NC(=NC2)Cl AB53090 [1,0,0,0,0,0|2,0,1]=4 1 B13R2.10 c1ccc(cc1)C2=NC(=NC2)N AB41897 [1,0,0,0,0,0|1,0,1]=3 2 B13R2.10 c1ccc(cc1)C2=NC(=NC2)O AB53088 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 CB10902 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.10 c1ccc(cc1)c2[nH]cc(n2)N AB60592 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.10 c1ccc(cc1)c2[nH]nc(n2)N CB10214 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.10 c1ccc(cc1)c2coc(n2)Br AB66370 [1,0,0,0,0,0|1,0,2]=4 9 B13R2.10 c1ccc(cc1)c2coc(n2)Cl AB64580 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.10 c1ccc(cc1)c2coc(n2)N AB68293 [1,0,0,0,0,0|0,0,2]=3 11 B13R2.10 c1ccc(cc1)c2nc(on2)Cl AB55659 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.18 c1ccc(c(c1)C2=NC=NC2)Br AB43982 [1,0,0,0,0,0|2,0,1]=4 13 B15R2.1153 Cc1cc(ccc1c2csc(n2)N)Br AB41483 [0,1,0,0,0,0|0,1,2]=4 14 B15R2.1153 Cc1ccc(c(c1)C)c2csc(n2)N AB04269 [0,1,0,0,0,0|0,1,2]=4 15 B15R2.2243 Cc1ccccc1c2cc(on2)CN AB27310 [0,1,0,0,0,0|2,0,1]=4 16 B15R2.2243 Cc1ccccc1c2nc(co2)CN AB27526 [0,1,0,0,0,0|2,0,1]=4 17 B15R2.2243 Cc1ccccc1c2nc(cs2)CN AB27131 [0,1,0,0,0,0|2,0,1]=4 18 B15R2.2243 c1ccc(c(c1)c2nc(on2)CN)Br AB49429 [0,1,0,0,0,0|2,0,1]=4 19 B15R2.2243 c1ccc(c(c1)c2nc(on2)CN)F AB49074 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.201 Cc1ccccc1C(CC(=O)O)N AB10460 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.201 Cc1ccccc1[C@@H](CC(=O)O)N AB17728 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.201 Cc1ccccc1[C@H](CC(=O)O)N AB17794 [0,0,1,0,0,0|3,0,0]=4 23 B14R2.8 c1ccc(cc1)C2=NC(=NC2)CN AB28334 [1,1,0,0,0,0|1,0,1]=4 24 B14R2.8 c1ccc(cc1)C2=NC(=NC2)CN AB57926 [1,1,0,0,0,0|1,0,1]=4 25 B14R2.8 c1ccc(cc1)c2nc(on2)CN AB23013 [1,1,0,0,0,0|1,0,1]=4 26 B14R2.20 c1cc(ccc1c2coc(n2)N)F AB68301 [1,1,0,0,0,0|0,0,2]=4 27 B14R2.598 CC1=NC(=NC1c2ccccc2)N AB54799 [1,1,0,0,0,0|1,0,1]=4 28 B16R2.2347 COc1ccccc1c2nc(on2)CN AB49420 [0,2,0,0,0,0|1,0,1]=4 29 B14R2.768 CC(=O)OC1Cc2ccccc2C1 AB66196 [0,0,1,1,0,0|2,0,0]=4 30 B14R2.781 c1ccc2c(c1)CCC(C2)C(=O)N AB72029 [0,0,1,1,0,0|2,0,0]=4 31 B14R3.630 c1ccc2c(c1)C[C@@H]3[C@H]2NC3=O AB49806 [0,0,0,1,1,0|1,0,1]=4 32 B12R1.124 Cc1ccccc1C(C(=O)O)N AB11985 [0,0,1,0,1,0|2,0,0]=4 33 B12R1.124 Cc1ccccc1C(C(=O)O)N AB24607 [0,0,1,0,1,0|2,0,0]=4 34 B12R1.124 Cc1ccccc1[C@@H](C(=O)O)N AB30505 [0,0,1,0,1,0|2,0,0]=4 35 B12R1.124 Cc1ccccc1[C@H](C(=O)O)N AB32649 [0,0,1,0,1,0|2,0,0]=4 36 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,0,1,0,1,0|1,0,1]=4 37 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,0,1,0,1,0|2,0,0]=4 38 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,0,1,0,1,0|2,0,0]=4 39 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [1,0,0,0,1,0|2,0,0]=4 40 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [1,0,0,0,1,0|1,0,1]=4 41 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [1,0,0,0,1,0|1,0,1]=4 42 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [1,0,0,0,1,0|1,0,1]=4 43 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [1,0,0,0,1,0|1,0,1]=4 44 B14R2.21 c1ccc(cc1)C2COCC(=O)N2 AB72681 [1,0,0,0,0,1|1,0,1]=4 45 B14R2.68 c1ccc(cc1)[C@@H]2COC(=O)CN2 MB01107 [1,0,0,0,0,1|1,0,1]=4 46 B14R2.68 c1ccc(cc1)[C@H]2COC(=O)CN2 AB05536 [1,0,0,0,0,1|1,0,1]=4