0 B11R1.28 c1ccc(cc1)CNCCO BC201328 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.28 c1ccc(cc1)COCC=O BC269066 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 c1cnccc1CCCCCl BC261689 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.28 c1cnccc1CCCCO BC644122 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 CNCCc1ccccn1 BC218953 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.17 c1ccc(cc1)OCCBr BC209483 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 c1ccc(cc1)OCCO BC208517 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 c1cnccc1CCCO BC222234 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.1 c1cc(ccc1CNCCO)F BC220844 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.8 c1ccc(cc1)COCCCO BC221424 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.30 CNCCC(c1ccccc1)O BC679596 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.32 CCOC(=O)Cc1ccccn1 BC225240 [0,1,0,0,0,0|1,0,1]=3 12 B12R1.32 CN(CCN)Cc1ccccc1 BC635280 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.252 c1ccc(cc1)CCCC(=O)O BC678065 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.252 c1ccnc(c1)CCCC(=O)O BC677038 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.267 CCCCCc1ccccc1C BC686296 [0,1,0,0,0,0|1,0,0]=2 16 B12R2.2 c1ccc(cc1)C2CCCN2 BC220765 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.2 c1ccc(cc1)C2CCNC2 BC206377 [0,0,0,1,0,0|2,0,0]=3 18 B12R2.2 c1ccc(cc1)C2CCNC2 BC681902 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.2 c1ccc(cc1)[C@@H]2CCCN2 BC227897 [0,0,0,1,0,0|2,0,0]=3 20 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 BC630674 [0,0,0,1,0,0|2,0,0]=3 21 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 BC227898 [0,0,0,1,0,0|2,0,0]=3 22 B12R2.2 c1ccnc(c1)C2CCNC2 BC685416 [0,0,0,1,0,0|1,0,0]=2 23 B12R2.2 c1cnccc1C2CCCN2 BC201198 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.2 c1cnccc1N2CCCC2 BC214914 [0,0,0,1,0,0|3,0,0]=4 25 B12R2.1081 CC1c2ccccc2CCN1 BC226194 [0,0,0,1,0,0|2,0,0]=3 26 B12R2.1081 c1cc2c(nc1)C(CCC2)O BC228167 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.1081 c1cc2c(nc1)CCCC2=O BC228644 [0,0,0,1,0,0|1,0,1]=3 28 B12R2.1081 c1cc2c(nc1)CCCC2O BC202819 [0,0,0,1,0,0|1,0,0]=2 29 B12R2.1081 c1ccc2c(c1)C(CCN2)N BC222937 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.1081 c1ccc2c(c1)C(CCN2)O BC600011 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N BC200269 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N BC683708 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.8 c1ccc(cc1)CCBr BC203736 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.8 c1ccc(cc1)CCO BC213746 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.8 c1ccnc(c1)CCBr BC216605 [2,0,0,0,0,0|1,0,0]=3 36 B11R1.1 c1cc(ccc1CCCBr)Cl BC681641 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.1 c1cc(ccc1CCCO)Br BC653959 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.16 CN(CCO)c1ccccn1 BC219251 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O BC681135 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.16 c1ccc(cc1)[C@H](CCCl)O BC201664 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.16 c1ccc(cc1)[C@H](CCO)N BC202108 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.17 CCCOc1c(cccn1)I BC643510 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.17 CCCOc1c(cccn1)N BC256310 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.91 CC(CCc1ccccc1)N BC653661 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.29 CNCC[C@@H](c1cccs1)O BC216616 [0,1,0,0,1,0|2,0,0]=4 46 B13R1.371 COc1ccc(cc1)CCCCO BC226685 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.718 c1ccc(cc1)COCC(CO)O BC226769 [0,2,0,0,0,0|2,0,0]=4 48 B13R1.674 CCCCC(=O)c1ccccc1C BC217139 [0,2,0,0,0,0|1,0,1]=4 49 B11R2.1 c1ccc2c(c1)CCC2N BC228055 [1,0,0,1,0,0|2,0,0]=4 50 B11R2.1 c1ccc2c(c1)CCC2N BC653269 [1,0,0,1,0,0|2,0,0]=4 51 B11R2.1 c1ccc2c(c1)CC[C@@H]2N BC679090 [1,0,0,1,0,0|2,0,0]=4 52 B11R2.20 c1c2c(ncn1)CCNC2 BC682213 [1,0,0,1,0,0|2,0,0]=4 53 B11R2.20 c1c2c(ncn1)CNCC2 BC682259 [1,0,0,1,0,0|2,0,0]=4 54 B11R2.20 c1cc2c(nc1)CCCC2 BC207983 [1,0,0,1,0,0|0,0,0]=2 55 B11R2.20 c1cnc2c(n1)CCCC2 BC218761 [1,0,0,1,0,0|1,0,0]=3 56 B11R2.20 c1cncc2c1CCCC2 BC682234 [1,0,0,1,0,0|2,0,0]=4 57 B13R2.12 c1cc(ccc1C2CCCN2)Br BC221178 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.12 c1cc(ccc1C2CCCN2)Cl BC221173 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.12 c1cc(ccc1C2CCCN2)F BC201195 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.12 c1cc(ccc1[C@@H]2CCCN2)Cl BC227887 [0,1,0,1,0,0|2,0,0]=4 61 B13R2.12 c1cc(ccc1[C@H]2CCCN2)Cl BC227888 [0,1,0,1,0,0|2,0,0]=4 62 B13R2.12 c1cc(ccc1[C@H]2CCCN2)F BC227894 [0,1,0,1,0,0|2,0,0]=4 63 B13R2.162 CN1CCCc2c1cc(cc2)N BC210067 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.162 c1cc2c(cc1Br)C(CCC2)N BC682271 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.3 c1ccc(cc1)C2CCNCC2 BC208602 [0,1,0,1,0,0|1,0,0]=3 66 B13R2.3 c1ccc(cc1)C2CNCCN2 BC223469 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.3 c1ccc(cc1)C2COCCN2 BC600020 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.3 c1ccc(cc1)N2CCNCC2 BC227200 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.3 c1ccc(cc1)[C@@H]2COCCN2 BC665893 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.3 c1ccc(cc1)[C@H]2COCCN2 BC267258 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.3 c1ccnc(c1)N2CCNCC2 BC204455 [0,1,0,1,0,0|1,0,0]=3 72 B13R2.3 c1cnc(cn1)N2CCNCC2 BC646138 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.3 c1cnc(nc1)N2CCNCC2 BC220307 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.15 CN1CCCC1c2cccnc2 BC600136 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.15 CN1CCC[C@H]1c2cccnc2 BC205403 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.15 CN1CCC[C@H]1c2cccnc2 BC299155 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 BC209418 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.2382 c1ccc(cc1)COC[C@H]2CO2 BC226277 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.13 c1cc(cc(c1)Br)C2CCCN2 BC221179 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.13 c1cc(cc(c1)F)C2CCCN2 BC201194 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.13 c1cc(cc(c1)F)[C@@H]2CCCN2 BC227895 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.13 c1cc(cc(c1)F)[C@H]2CCCN2 BC227896 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.13 c1cc(cc(c1)N)C2CCCN2 BC657175 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.31 c1ccc(cc1)CN2CC(C2)O BC678840 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.18 c1ccc(c(c1)C2CCCN2)Cl BC227875 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.18 c1ccc(c(c1)C2CCCN2)F BC201193 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.342 c1cc2c(c(c1)Br)CCCC2O BC654841 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.12 CCCCc1[nH]ccn1 BC222416 [1,0,0,0,1,0|1,0,0]=3 89 B9R1.12 c1ccn(c1)CCCBr BC653419 [1,0,0,0,1,0|2,0,0]=4