0 B13R1.718 COC(=O)COCc1ccccc1 AB63738 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.718 COC(=O)NCCc1ccccc1 AB09088 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.718 c1ccc(cc1)CONC(=O)CN AB24869 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.8 c1ccc(cc1)CCCCCN AB07613 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [1,0,0,0,0,0|1,0,0]=2 10 B14R1.520 CCOC(=O)C\N=C\c1ccccc1 AB04772 [0,1,0,0,0,0|1,0,1]=3 11 B14R1.756 CC(C(=O)OC)NCc1ccccc1 AB66346 [0,1,0,0,0,0|1,0,0]=2 12 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 PB19844 [0,0,0,1,0,0|2,0,0]=3 13 B14R2.68 c1ccc(cc1)C2CCC(CC2)N AB03671 [0,0,0,1,0,0|2,0,1]=4 14 B14R2.68 c1ccc(cc1)C2CNC(=O)CN2 AB37265 [0,0,0,1,0,0|2,0,0]=3 15 B14R2.68 c1ccc(cc1)C2CNC(=O)CO2 AB42561 [0,0,0,1,0,0|2,0,0]=3 16 B14R2.68 c1ccc(cc1)N2CCC(=O)CC2 AB31242 [0,0,0,1,0,0|2,0,0]=3 17 B14R2.68 c1ccc(cc1)[C@@H]2CNC(=O)CN2 AB37270 [0,0,0,1,0,0|2,0,0]=3 18 B14R2.68 c1ccc(cc1)[C@@H]2COC(=O)CN2 MB01107 [0,0,0,1,0,0|1,0,0]=2 19 B14R2.68 c1ccc(cc1)[C@H]2CNC(=O)CN2 AB37268 [0,0,0,1,0,0|2,0,0]=3 20 B14R2.68 c1ccc(cc1)[C@H]2COC(=O)CN2 AB05536 [0,0,0,1,0,0|1,0,0]=2 21 B14R2.95 COC(=O)C1=c2cccnc2=NC1 PB14761 [0,0,0,1,0,0|2,0,1]=4 22 B14R2.95 COC(=O)C1CCc2c1cccc2 AB07839 [0,0,0,1,0,0|0,0,0]=1 23 B14R2.4514 CN1[C@@H](CCC1=O)c2cccnc2 PB32127 [0,0,0,1,0,0|2,0,0]=3 24 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.28 CNCCCc1ccccc1 AB10671 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.28 c1ccc(cc1)CCCCN AB00942 [2,0,0,0,0,0|1,0,1]=4 27 B11R1.28 c1ccc(cc1)CCCCN AB13248 [2,0,0,0,0,0|1,0,1]=4 28 B13R1.45 CN(C)CCC(c1ccccc1)O AB03278 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.149 c1cc(cc(c1)Cl)OCCC(=O)O AB03979 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Br AB52820 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Cl AB07374 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.158 c1ccc(c(c1)NCCC(=O)O)I AB44265 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.351 c1cc(cnc1)CCC(C(=O)O)N AB21175 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.351 c1cc(cnc1)CC[C@@H](C(=O)O)N AB34696 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.351 c1cc(cnc1)CC[C@H](C(=O)O)N AB34692 [1,1,0,0,0,0|1,0,0]=3 36 B13R1.351 c1ccc(cc1)CCC(C(=O)O)N AB02512 [1,1,0,0,0,0|0,0,0]=2 37 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N AB00246 [1,1,0,0,0,0|0,0,0]=2 38 B13R1.351 c1ccnc(c1)CCC(C(=O)O)N AB34675 [1,1,0,0,0,0|1,0,0]=3 39 B13R1.351 c1ccnc(c1)CC[C@@H](C(=O)O)N AB34679 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.351 c1ccnc(c1)CC[C@H](C(=O)O)N AB34678 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.351 c1cnccc1CCC(C(=O)O)N AB34710 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.351 c1cnccc1CC[C@@H](C(=O)O)N AB34714 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.351 c1cnccc1CC[C@H](C(=O)O)N AB34713 [1,1,0,0,0,0|1,0,0]=3 44 B13R1.513 CC(=O)OCCc1ccc(cc1)O AB51485 [1,1,0,0,0,0|1,0,0]=3 45 B13R1.513 c1cc(ccc1CCCC(=O)O)Br MB01227 [1,1,0,0,0,0|0,0,0]=2 46 B13R1.513 c1cc(ccc1NCCC(=O)O)Br AB51540 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.513 c1cc(ccc1NCCC(=O)O)Cl AB07378 [1,1,0,0,0,0|1,0,0]=3 48 B13R1.513 c1cc(ccc1NCCC(=O)O)I AB52822 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.3523 c1ccc(cc1)CCCS(=O)(=O)Cl AB28174 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N AB43040 [0,1,0,0,1,0|0,0,0]=2 51 B13R1.11 COC(=O)C[C@H](c1ccccc1)N AB43041 [0,1,0,0,1,0|0,0,0]=2 52 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [0,1,0,0,1,0|0,0,0]=2 53 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Br AB04162 [0,1,0,0,1,0|0,0,2]=4 54 B13R1.15 COC(=O)CCc1cccc(c1)Cl AB18124 [0,1,0,0,1,0|0,0,0]=2 55 B13R1.135 COC(=O)C(Cc1ccccc1)N AB01980 [0,1,0,0,1,0|0,0,0]=2 56 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N AB01100 [0,1,0,0,1,0|0,0,0]=2 57 B15R1.778 c1ccc(cc1)COCCC(=O)CC#N AB65658 [0,1,0,0,0,1|1,0,1]=4 58 B15R1.966 COC(=O)NC(Cc1ccccc1)CF AB53418 [0,2,0,0,0,0|1,0,0]=3 59 B13R2.3 c1ccc(cc1)C2CCCNC2 AB07314 [1,0,0,1,0,0|1,0,1]=4 60 B13R2.3 c1ccc(cc1)C2CCNCC2 AB00564 [1,0,0,1,0,0|2,0,0]=4 61 B13R2.3 c1ccc(cc1)C2COCCN2 AB50984 [1,0,0,1,0,0|1,0,1]=4 62 B13R2.3 c1ccc(cc1)[C@@H]2CCCNC2 AB16327 [1,0,0,1,0,0|1,0,1]=4 63 B13R2.3 c1ccc(cc1)[C@H]2CCCNC2 AB16326 [1,0,0,1,0,0|1,0,1]=4 64 B13R2.3 c1ccc(cc1)[C@H]2COCCN2 AB62678 [1,0,0,1,0,0|1,0,1]=4 65 B13R2.64 c1ccc(cc1)CN2CC=CC2 PB15605 [1,0,0,1,0,0|2,0,0]=4 66 B13R2.1613 CNC1CCCc2c1cccc2 MB03780 [1,0,0,1,0,0|1,0,1]=4 67 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [1,0,0,1,0,0|1,0,0]=3 68 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [1,0,0,1,0,0|1,0,0]=3 69 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [1,0,0,1,0,0|0,0,0]=2 70 B13R2.72 CC(=O)C1=c2ccccc2=NC1 AB00460 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O AB16477 [1,0,0,1,0,0|1,0,0]=3 72 B13R2.72 c1ccc2c(c1)C(CO2)C(=O)O AB45862 [1,0,0,1,0,0|1,0,0]=3 73 B13R2.72 c1ccc2c(c1)CCC2C(=O)O AB01304 [1,0,0,1,0,0|0,0,0]=2 74 B13R2.72 c1ccc2c(c1)CNC2C(=O)O AB08706 [1,0,0,1,0,0|1,0,0]=3 75 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [1,0,0,1,0,0|1,0,0]=3 76 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.423 B(C1CC1c2ccccc2)(O)O AB14743 [1,0,0,1,0,0|1,0,1]=4 78 B13R2.423 B([C@H]1C[C@@H]1c2ccccc2)(O)O AB29955 [1,0,0,1,0,0|1,0,1]=4 79 B15R2.4 COC(=O)CC1=c2cccnc2=NC1 PB22488 [0,0,0,1,0,1|1,0,1]=4 80 B15R2.4 COC(=O)Cc1c2ccccc2on1 AB20739 [0,0,0,1,0,1|1,0,1]=4 81 B15R2.4 COC(=O)Cn1c2ccccc2cn1 AB58363 [0,0,0,1,0,1|1,0,1]=4 82 B15R2.29 c1ccc(cc1)CC2CNC(=O)CN2 AB37273 [0,0,0,1,0,1|1,0,0]=3 83 B15R2.29 c1ccc(cc1)CN2CCC(=CC2)I AB52818 [0,0,0,1,0,1|2,0,0]=4 84 B15R2.29 c1ccc(cc1)C[C@@H]2CNC(=O)CN2 AB37277 [0,0,0,1,0,1|1,0,0]=3 85 B15R2.29 c1ccc(cc1)C[C@H]2CNC(=O)CN2 AB37276 [0,0,0,1,0,1|1,0,0]=3 86 B15R2.29 c1ccnc(c1)CN2CCC(=O)CC2 AB22769 [0,0,0,1,0,1|2,0,0]=4 87 B15R2.79765 c1ccc2c(c1)CCCC2C(=O)NN AB11065 [0,0,0,1,0,1|2,0,0]=4 88 B15R2.3 c1cc(ccc1N2CCC(=O)CC2)Cl AB22777 [0,1,0,1,0,0|2,0,0]=4 89 B15R2.3 c1cc(ccc1N2CCC(=O)CC2)F AB22775 [0,1,0,1,0,0|2,0,0]=4 90 B15R2.98 c1cc(ccc1C[C@H]2COC(=O)N2)N AB14099 [0,1,0,1,0,0|1,0,0]=3 91 B15R2.50022 CN1c2cc(ccc2CCCC1=O)N PB13938 [0,1,0,1,0,0|1,0,0]=3 92 B15R2.1 c1ccc(cc1)C2CCC(=NO)CC2 AB06054 [0,1,0,1,0,0|1,0,1]=4 93 B15R2.1 c1ccc(cc1)C2CCC(CC2)C=O AB25048 [0,1,0,1,0,0|1,0,1]=4 94 B15R2.297 C[C@@H](c1ccccc1)N2CCC(=O)C2 AB31642 [0,1,0,1,0,0|2,0,0]=4 95 B15R2.31 c1ccc(cc1)CC2CNCC(=O)N2 AB37363 [0,1,0,1,0,0|2,0,0]=4 96 B15R2.31 c1ccc(cc1)C[C@@H]2CNCC(=O)N2 AB37368 [0,1,0,1,0,0|2,0,0]=4 97 B15R2.31 c1ccc(cc1)C[C@H]2CNCC(=O)N2 AB37365 [0,1,0,1,0,0|2,0,0]=4 98 B15R2.73 CCOC(=O)C1C=Nc2c1cccc2 AB72117 [0,1,0,1,0,0|1,0,1]=4 99 B15R2.1569 COC(=O)Cc1nc2ccccc2s1 AB10925 [0,1,0,1,0,0|1,0,1]=4 100 B15R2.1601 COC(=O)C1=Cc2ccccc2OC1 AB04722 [0,1,0,1,0,0|1,0,1]=4 101 B15R2.1601 COC(=O)C1Cc2ccccc2CN1 AB16887 [0,1,0,1,0,0|1,0,0]=3 102 B15R2.1601 COC(=O)C1Cc2ccccc2OC1 AB18711 [0,1,0,1,0,0|1,0,0]=3 103 B15R2.1601 COC(=O)[C@@H]1Cc2ccccc2CN1 AB14455 [0,1,0,1,0,0|1,0,0]=3 104 B15R2.1601 COC(=O)[C@H]1Cc2ccccc2CN1 AB27613 [0,1,0,1,0,0|1,0,0]=3 105 B15R2.1601 c1ccc2c(c1)CCC(O2)C(=O)CBr AB69625 [0,1,0,1,0,0|2,0,0]=4 106 B15R2.308 c1ccc(c(c1)N2CCC(=O)CC2)F AB22833 [0,1,0,1,0,0|2,0,0]=4 107 B15R2.28 c1cc(cc(c1)F)N2CCC(=O)CC2 AB28370 [0,1,0,1,0,0|2,0,0]=4 108 B15R2.63978 CN1c2ccc(cc2CCCC1=O)N PB29960 [0,1,0,1,0,0|1,0,0]=3 109 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [1,0,0,0,1,0|1,0,1]=4 110 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [1,0,0,0,1,0|2,0,0]=4 111 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,0,0,1,0|0,0,2]=4 112 B11R1.172 CC(=O)NCCn1cccc1 AB04419 [1,0,0,0,1,0|2,0,0]=4 113 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,0,0,0,2,0|1,0,0]=3 114 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,0,0,0,2,0|1,0,0]=3 115 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,0,0,0,2,0|1,0,0]=3 116 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,0,0,0,2,0|2,0,0]=4 117 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,0,0,0,2,0|1,0,0]=3 118 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,0,0,0,2,0|2,0,0]=4 119 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [0,0,0,0,2,0|2,0,0]=4 120 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,0,0,0,2,0|2,0,0]=4 121 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,0,0,0,2,0|2,0,0]=4