0 B14R2.20 Cc1ccc(cc1)C2CCC(=O)C2 AB26347 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.20 Cc1ccc(cc1)c2csc(n2)N AB04274 [0,0,0,0,0,0|1,1,2]=4 2 B14R2.20 Cc1csc(n1)c2ccc(cc2)Cl AB63558 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.20 c1cc(ccc1C2=NN=C(C2)N)Cl AB02235 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.20 c1cc(ccc1C2CCC(=O)C2)Br AB26346 [0,0,0,0,0,0|3,1,0]=4 5 B14R2.20 c1cc(ccc1C2CCC(=O)C2)Cl AB26349 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.20 c1cc(ccc1C2CCC(=O)C2)F AB26352 [0,0,0,0,0,0|3,1,0]=4 7 B14R2.20 c1cc(ccc1C2CCC(=O)N2)Cl CB11852 [0,0,0,0,0,0|2,0,1]=3 8 B14R2.20 c1cc(ccc1c2coc(n2)N)F AB68301 [0,0,0,0,0,0|0,1,2]=3 9 B14R2.20 c1cc(ccc1c2csc(n2)Br)Cl AB41504 [0,0,0,0,0,0|1,1,2]=4 10 B14R2.20 c1cc(ccc1c2csc(n2)N)Br AB02157 [0,0,0,0,0,0|0,2,2]=4 11 B14R2.20 c1cc(ccc1c2csc(n2)N)Cl AB02022 [0,0,0,0,0,0|0,1,2]=3 12 B14R2.20 c1cc(ccc1c2csc(n2)N)F AB08236 [0,0,0,0,0,0|0,2,2]=4 13 B14R2.20 c1cc(ccc1c2nc(no2)Cl)Cl AB84796 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.20 c1cc(ccc1c2nc(on2)Cl)Br AB66334 [0,0,0,0,0,0|2,1,1]=4 15 B14R2.20 c1cc(ccc1c2nc(on2)Cl)Cl AB66325 [0,0,0,0,0,0|2,0,1]=3 16 B14R2.20 c1cc(ccc1c2nc(on2)Cl)F AB66320 [0,0,0,0,0,0|2,1,1]=4 17 B14R2.20 c1cc(ccc1n2cc(cn2)N)Cl AB65395 [0,0,0,0,0,0|4,0,0]=4 18 B14R2.20 c1cc(ncc1c2csc(n2)N)Cl AB27190 [0,0,0,0,0,0|1,1,2]=4 19 B13R2.10 c1ccc(cc1)C2=NC(=NC2)Cl AB53090 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.10 c1ccc(cc1)C2=NC(=NC2)N AB41897 [1,0,0,0,0,0|1,0,1]=3 21 B13R2.10 c1ccc(cc1)C2=NC(=NC2)O AB53088 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 CB10902 [1,0,0,0,0,0|1,0,1]=3 25 B13R2.10 c1ccc(cc1)c2[nH]cc(n2)N AB60592 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.10 c1ccc(cc1)c2[nH]nc(n2)N CB10214 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.10 c1ccc(cc1)c2coc(n2)Br AB66370 [1,0,0,0,0,0|1,0,2]=4 28 B13R2.10 c1ccc(cc1)c2coc(n2)Cl AB64580 [1,0,0,0,0,0|1,0,2]=4 29 B13R2.10 c1ccc(cc1)c2coc(n2)N AB68293 [1,0,0,0,0,0|0,0,2]=3 30 B13R2.10 c1ccc(cc1)c2nc(on2)Cl AB55659 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.12 c1cc(ccc1C2=NN=NC2)Cl AB23653 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.12 c1cc(ccc1c2[nH]ccn2)Cl AB18736 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.12 c1cc(ccc1c2ncco2)Cl MB05421 [1,0,0,0,0,0|2,0,1]=4 34 B15R2.275 Cc1ccc(cc1)c2nc(on2)CN AB30557 [0,1,0,0,0,0|2,0,1]=4 35 B15R2.275 c1cc(ccc1C2=NC(=NC2)C=O)Cl AB57988 [0,1,0,0,0,0|2,0,1]=4 36 B15R2.275 c1cc(ccc1C2=NC(=NC2)CN)Br AB57932 [0,1,0,0,0,0|1,1,1]=4 37 B15R2.275 c1cc(ccc1C2=NC(=NC2)CN)Cl AB57942 [0,1,0,0,0,0|1,0,1]=3 38 B15R2.275 c1cc(ccc1C2=NC(=NC2)CN)F AB57927 [0,1,0,0,0,0|1,1,1]=4 39 B15R2.275 c1cc(ccc1c2nc(co2)CN)Cl AB27387 [0,1,0,0,0,0|2,0,1]=4 40 B15R2.275 c1cc(ccc1c2nc(cs2)CN)Cl AB22933 [0,1,0,0,0,0|2,0,1]=4 41 B15R2.275 c1cc(ccc1c2nc(on2)C=O)Cl AB43148 [0,1,0,0,0,0|2,0,1]=4 42 B15R2.275 c1cc(ccc1c2nc(on2)CCl)Cl AB03491 [0,1,0,0,0,0|2,0,1]=4 43 B15R2.275 c1cc(ccc1c2nc(on2)CN)Br AB49435 [0,1,0,0,0,0|1,1,1]=4 44 B15R2.275 c1cc(ccc1c2nc(on2)CN)Cl AB26781 [0,1,0,0,0,0|1,0,1]=3 45 B15R2.275 c1cc(ccc1c2nc(on2)CN)F AB49425 [0,1,0,0,0,0|1,1,1]=4 46 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [0,0,1,0,0,0|2,1,0]=4 47 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Cl AB03524 [0,0,1,0,0,0|3,0,0]=4 48 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl AB16416 [0,0,1,0,0,0|3,0,0]=4 49 B13R1.513 CC(=O)OCCc1ccc(cc1)O AB51485 [0,0,1,0,0,0|3,0,0]=4 50 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br PB24838 [0,0,0,0,1,0|2,1,0]=4 51 B15R2.3 c1cc(ccc1c2ccc(nc2)N)Cl AB30244 [0,0,0,0,0,1|1,0,2]=4 52 B15R2.98 c1cc(ccc1C[C@H]2COC(=O)N2)N AB14099 [0,0,0,0,0,1|2,0,1]=4 53 B12R1.1 c1cc(ccc1CCCCN)Cl AB54564 [1,0,1,0,0,0|1,0,1]=4 54 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [1,0,1,0,0,0|2,0,0]=4 55 B14R2.8 c1ccc(cc1)C2=NC(=NC2)CN AB28334 [1,1,0,0,0,0|1,0,1]=4 56 B14R2.8 c1ccc(cc1)C2=NC(=NC2)CN AB57926 [1,1,0,0,0,0|1,0,1]=4 57 B14R2.8 c1ccc(cc1)c2nc(on2)CN AB23013 [1,1,0,0,0,0|1,0,1]=4 58 B14R2.598 CC1=NC(=NC1c2ccccc2)N AB54799 [1,1,0,0,0,0|1,0,1]=4 59 B14R2.926 CC1=NC=NC1c2ccc(cc2)Cl AB07516 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,0,1,0,1,0|0,1,1]=4 61 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,0,1,0,1,0|0,0,1]=3 62 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,0,1,0,1,0|0,1,1]=4 63 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,0,1,0,1,0|1,1,0]=4 64 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,0,1,0,1,0|1,0,1]=4 65 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl AB02094 [0,0,1,0,1,0|2,0,0]=4 66 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl AB15770 [0,0,1,0,1,0|2,0,0]=4 67 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl AB16238 [0,0,1,0,1,0|2,0,0]=4 68 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [1,0,0,0,1,0|2,0,0]=4 69 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [1,0,0,0,1,0|1,0,1]=4 70 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [1,0,0,0,1,0|1,0,1]=4 71 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [1,0,0,0,1,0|1,0,1]=4 72 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [1,0,0,0,1,0|1,0,1]=4 73 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,0,0,0,2,0|1,0,1]=4 74 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,0,0,0,2,0|0,1,1]=4 75 B14R2.21 c1ccc(cc1)C2COCC(=O)N2 AB72681 [1,0,0,0,0,1|1,0,1]=4