0 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.2 c1cc(cnc1)C2CCCN2 AB01223 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [1,0,0,0,0,0|2,0,0]=3 3 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [1,0,0,0,0,0|1,0,0]=2 4 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.2 c1ccnc(c1)C2CCCN2 PB23261 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.2 c1ccnc(c1)[C@@H]2CCCN2 AB39377 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.2 c1cnccc1C2CCCN2 AB10234 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.2 c1cnccc1[C@@H]2CCCN2 AB49753 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.2 c1cnccc1[C@H]2CCCN2 AB49756 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.8 c1ccc(cc1)C2CC(CN2)CO AB72120 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,0,1,0,0,0|2,0,0]=3 15 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.30 CNCCC(c1ccccc1)O AB06932 [0,0,1,0,0,0|2,0,0]=3 17 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [0,0,1,0,0,0|1,0,2]=4 19 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [0,0,1,0,0,0|1,0,1]=3 20 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,0,0,0,1,0|2,0,1]=4 21 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,0,0,0,1,0|2,0,1]=4 22 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,0,0,0,1,0|2,0,0]=3 23 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,0,0,0,1,0|2,0,0]=3 25 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,0,0,0,1,0|2,0,0]=3 26 B14R2.21 CN1CCNC(C1)c2ccccc2 AB14171 [0,0,0,0,0,1|3,0,0]=4 27 B14R2.21 c1ccc(cc1)C2CNCC(=O)O2 AB72680 [0,0,0,0,0,1|2,0,1]=4 28 B14R2.21 c1ccc(cc1)C2COCC(=O)N2 AB72681 [0,0,0,0,0,1|2,0,1]=4 29 B14R2.68 c1ccc(cc1)C2CCC(CC2)N AB03671 [0,0,0,0,0,1|3,0,0]=4 30 B14R2.68 c1ccc(cc1)C2CNC(=O)CO2 AB42561 [0,0,0,0,0,1|2,0,1]=4 31 B14R2.68 c1ccc(cc1)[C@@H]2COC(=O)CN2 MB01107 [0,0,0,0,0,1|2,0,1]=4 32 B14R2.68 c1ccc(cc1)[C@H]2COC(=O)CN2 AB05536 [0,0,0,0,0,1|2,0,1]=4 33 B11R1.12 B(c1ccccn1)(OC)OC AB14373 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.12 B(c1cccnc1)(OC)OC AB09365 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.12 COC(c1ccncn1)OC PB32451 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.28 CNCCCc1ccccc1 AB10671 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,0,1,0,0,0|1,0,0]=3 41 B13R1.45 CN(C)CCC(c1ccccc1)O AB03278 [0,1,1,0,0,0|2,0,0]=4 42 B13R1.718 COC(=O)COCc1ccccc1 AB63738 [0,1,1,0,0,0|0,0,2]=4 43 B13R1.3523 CC(C)(COCc1ccccc1)O AB84932 [0,1,1,0,0,0|0,0,0]=2 44 B13R2.12 B1(OCCO1)c2ccc(cc2)F AB29549 [1,1,0,0,0,0|1,0,0]=3 45 B13R2.12 c1c(cnc(n1)C2OCCO2)Br PB37980 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.12 c1cc(ccc1C2=NCCO2)Br MB01248 [1,1,0,0,0,0|1,0,1]=4 47 B13R2.12 c1cc(ccc1C2CCCN2)Br AB12047 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.12 c1cc(ccc1C2CCCN2)F AB12040 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.12 c1cc(ncc1Br)C2OCCO2 AB25949 [1,1,0,0,0,0|1,0,0]=3 50 B13R2.12 c1cc(ncc1C2OCCO2)Br AB70673 [1,1,0,0,0,0|1,0,0]=3 51 B13R2.12 c1cc(ncc1C2OCCO2)Cl AB48242 [1,1,0,0,0,0|1,0,0]=3 52 B13R2.12 c1cc(ncc1C2OCCO2)F AB72870 [1,1,0,0,0,0|1,0,0]=3 53 B13R2.12 c1cc(ncc1C2OCCO2)N AB72896 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.13 c1c(cncc1Br)C2OCCO2 AB72163 [1,1,0,0,0,0|1,0,0]=3 55 B13R2.13 c1cc(cc(c1)Br)C2OCCO2 AB00303 [1,1,0,0,0,0|0,0,0]=2 56 B13R2.13 c1cc(cc(c1)Cl)C2CCCN2 AB12044 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.13 c1cc(cc(c1)F)C2CCCN2 AB12054 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.13 c1cc(cc(c1)N)C2OCCO2 AB05573 [1,1,0,0,0,0|0,0,0]=2 59 B13R2.13 c1cc(nc(c1)F)C2OCCO2 AB72830 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.13 c1cnc(cc1Br)C2OCCO2 AB72930 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.13 c1cnc(cc1C2OCCO2)Br AB23290 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.13 c1cnc(cc1C2OCCO2)Cl AB72873 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.13 c1cnc(cc1C2OCCO2)F AB72867 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.18 c1ccc(c(c1)C2CCCN2)F AB45499 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.467 B1(OCC(CO1)(C)C)c2ccccc2 AB21950 [0,1,0,0,0,1|1,0,0]=3 66 B15R2.467 B1(OCC(CO1)(C)C)c2cccnc2 AB14739 [0,1,0,0,0,1|2,0,0]=4 67 B15R2.59 CC(=O)C1CC(NC1)c2ccccc2 AB76529 [0,2,0,0,0,0|2,0,0]=4 68 B13R2.3 B1(OCCCO1)c2ccccc2 AB02862 [0,0,1,1,0,0|1,0,0]=3 69 B13R2.3 B1(OCCCO1)c2cccnc2 AB08194 [0,0,1,1,0,0|2,0,0]=4 70 B13R2.3 B1(OCCCO1)c2ccncc2 AB30040 [0,0,1,1,0,0|2,0,0]=4 71 B13R2.3 c1ccc(cc1)C2CNCCO2 AB09828 [0,0,1,1,0,0|2,0,0]=4 72 B13R2.1613 CNC1CCCc2c1cccc2 MB03780 [0,0,1,1,0,0|2,0,0]=4 73 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [0,0,1,1,0,0|1,0,1]=4 74 B13R2.32 c1ccc2c(c1)CCC(C2O)Br MB00774 [0,0,1,1,0,0|2,0,0]=4 75 B13R2.57 c1ccc2c(c1)CC(NC2)CN AB31262 [0,0,1,1,0,0|2,0,0]=4 76 B13R2.57 c1ccc2c(c1)CCC(C2)CN AB28261 [0,0,1,1,0,0|2,0,0]=4 77 B13R2.5252 c1ccc2c(c1)CCCOC2=O AB65833 [0,0,1,1,0,0|0,0,2]=4 78 B13R2.12159 CC1(c2ccccc2C(=O)O1)C AB04969 [0,0,1,1,0,0|0,0,2]=4 79 B13R2.31 c1ccc(cc1)CN2CC(C2)O PB10180 [0,0,1,1,0,0|1,0,0]=3 80 B13R2.3122 CC1(CNCc2c1cccc2)C MB05480 [0,0,1,1,0,0|2,0,0]=4 81 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,0,1,0,1,0|1,0,0]=3 82 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,0,1,0,1,0|2,0,0]=4 83 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,0,1,0,1,0|2,0,0]=4 84 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,0,1,0,1,0|1,0,0]=3 85 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,0,1,0,1,0|2,0,0]=4 86 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,0,1,0,1,0|2,0,0]=4 87 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,0,1,0,1,0|2,0,0]=4 88 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,0,1,0,1,0|2,0,0]=4 89 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,0,1,0,1,0|1,0,0]=3 90 B11R2.2 c1cc(oc1)C2OCCO2 AB06753 [1,0,0,0,1,0|1,0,0]=3 91 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,0,2,0|1,0,0]=3 92 B13R2.64 c1ccc(cc1)CC2CCCN2 AB09388 [1,0,0,0,0,1|2,0,0]=4