0 B13R1.42 C=CNC(=O)OCc1ccccc1 AB17881 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.8 c1ccc(cc1)CCCCCN AB07613 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [1,0,0,0,0,0|2,0,0]=3 3 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 PB14133 [0,1,0,0,0,0|1,0,1]=3 4 B14R1.29 CCOC(=O)CC(=O)c1ccncc1 PB13020 [0,1,0,0,0,0|1,0,1]=3 5 B14R1.29 CCOC(=O)CC(=O)c1cnccn1 AB18180 [0,1,0,0,0,0|2,0,1]=4 6 B14R1.32 CCOC(=O)COc1cccc(c1)Br AB16880 [0,1,0,0,0,0|1,0,0]=2 7 B14R1.32 CCOC(=O)COc1cccc(c1)C AB08349 [0,1,0,0,0,0|1,0,0]=2 8 B14R1.32 CCOC(=O)COc1cccc(c1)Cl AB22457 [0,1,0,0,0,0|1,0,0]=2 9 B14R1.32 CCOC(=O)COc1cccc(c1)F AB26126 [0,1,0,0,0,0|1,0,0]=2 10 B14R1.32 CCOC(=O)COc1cccc(c1)I AB26123 [0,1,0,0,0,0|1,0,0]=2 11 B14R1.32 CCOC(=O)\C=C\c1ccnc(c1)Cl AB21819 [0,1,0,0,0,0|1,0,2]=4 12 B14R1.60 CCOC(=O)C(Cc1ccccn1)N AB21681 [0,1,0,0,0,0|1,0,0]=2 13 B14R1.156 C#CCNC(=O)OCc1ccccc1 AB61413 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.156 c1ccc(cc1)COC(=O)NCC#N AB01537 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.156 c1ccc(cc1)COC(=O)NCCI AB55270 [0,1,0,0,0,0|2,0,0]=3 16 B14R1.502 CCOC(=O)CCc1ccc(cc1)N MB04702 [0,1,0,0,0,0|0,0,0]=1 17 B14R1.502 CCOC(=O)COc1ccc(cc1)Br AB06130 [0,1,0,0,0,0|1,0,0]=2 18 B14R1.502 CCOC(=O)COc1ccc(cc1)C AB04789 [0,1,0,0,0,0|1,0,0]=2 19 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl AB07801 [0,1,0,0,0,0|1,0,0]=2 20 B14R1.502 CCOC(=O)COc1ccc(cc1)F AB14478 [0,1,0,0,0,0|1,0,0]=2 21 B14R1.502 CCOC(=O)COc1ccc(cc1)I AB26118 [0,1,0,0,0,0|1,0,0]=2 22 B14R1.502 CCOC(=O)\C=C\c1ccc(nc1)Cl AB17440 [0,1,0,0,0,0|1,0,2]=4 23 B14R1.502 CCOC(=O)\C=C\c1ccc(nc1)N AB17438 [0,1,0,0,0,0|1,0,2]=4 24 B14R1.598 CCOC(=O)\C=C\c1cccnc1Cl AB21815 [0,1,0,0,0,0|1,0,2]=4 25 B14R2.21 c1ccc(cc1)C2CCCC(=O)C2 AB04809 [0,0,0,1,0,0|1,0,0]=2 26 B14R2.21 c1ccc(cc1)C2CNCC(=O)N2 AB37355 [0,0,0,1,0,0|3,0,0]=4 27 B14R2.21 c1ccc(cc1)C2CNCC(=O)O2 AB72680 [0,0,0,1,0,0|3,0,0]=4 28 B14R2.21 c1ccc(cc1)C2COCC(=O)N2 AB72681 [0,0,0,1,0,0|3,0,0]=4 29 B14R2.21 c1ccc(cc1)[C@@H]2CNCC(=O)N2 AB37361 [0,0,0,1,0,0|3,0,0]=4 30 B14R2.21 c1ccc(cc1)[C@H]2CNCC(=O)N2 AB37359 [0,0,0,1,0,0|3,0,0]=4 31 B14R2.30 c1ccc(cc1)CN2CCCC2=O AB00299 [0,0,0,1,0,0|2,0,0]=3 32 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,0,0,0,1,0|1,0,0]=2 33 B12R1.32 CCOC(=O)Cc1cnccn1 AB62539 [0,0,0,0,1,0|2,0,0]=3 34 B12R1.32 CCOC(=O)Cc1ncccn1 PB14776 [0,0,0,0,1,0|2,0,0]=3 35 B14R1.520 CCOC(=O)C\N=C\c1ccccc1 AB04772 [0,0,0,0,0,1|0,0,1]=2 36 B11R1.28 CNCCCc1ccccc1 AB10671 [2,0,0,0,0,0|1,0,1]=4 37 B11R1.28 c1ccc(cc1)CCCCN AB00942 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.28 c1ccc(cc1)CCCCN AB13248 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [2,0,0,0,0,0|0,0,2]=4 42 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N AB43040 [1,1,0,0,0,0|0,0,0]=2 43 B13R1.11 COC(=O)C[C@H](c1ccccc1)N AB43041 [1,1,0,0,0,0|0,0,0]=2 44 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [1,1,0,0,0,0|0,0,0]=2 45 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Br AB04162 [1,1,0,0,0,0|0,0,2]=4 46 B13R1.15 COC(=O)CCc1cccc(c1)Cl AB18124 [1,1,0,0,0,0|0,0,0]=2 47 B13R1.135 COC(=O)C(Cc1ccccc1)N AB01980 [1,1,0,0,0,0|0,0,0]=2 48 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N AB01100 [1,1,0,0,0,0|0,0,0]=2 49 B13R1.19 CCOC(=O)Cc1ccc(cn1)Br PB32861 [0,1,0,0,1,0|1,0,0]=3 50 B13R1.19 CCOC(=O)Cc1ccc(cn1)C AB62474 [0,1,0,0,1,0|1,0,0]=3 51 B13R1.19 CCOC(=O)Cc1ccc(cn1)Cl AB62485 [0,1,0,0,1,0|1,0,0]=3 52 B13R1.19 CCOC(=O)Cc1ccc(cn1)I PB37907 [0,1,0,0,1,0|1,0,0]=3 53 B13R1.19 CCOC(=O)Cc1ccc(cn1)N PB35666 [0,1,0,0,1,0|1,0,0]=3 54 B13R1.19 CCOC(=O)Cc1ccc(cn1)O PB13946 [0,1,0,0,1,0|1,0,0]=3 55 B13R1.19 CCOC(=O)Cc1ccc(nn1)Cl PB34482 [0,1,0,0,1,0|2,0,0]=4 56 B13R1.19 CCOC(=O)Cc1cnc(cn1)C AB70233 [0,1,0,0,1,0|2,0,0]=4 57 B13R1.19 CCOC(=O)Cc1cnc(cn1)Cl AB70230 [0,1,0,0,1,0|2,0,0]=4 58 B13R1.19 CCOC(=O)Cc1cnc(cn1)N AB70237 [0,1,0,0,1,0|2,0,0]=4 59 B13R1.19 CCOC(=O)Cc1ncc(cn1)Br PB25238 [0,1,0,0,1,0|2,0,0]=4 60 B13R1.19 CCOC(=O)Cc1ncc(cn1)Cl AB58665 [0,1,0,0,1,0|2,0,0]=4 61 B13R1.19 CCOC(=O)Cc1ncc(cn1)F AB68740 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.19 CCOC(=O)Cc1ncc(cn1)N AB59192 [0,1,0,0,1,0|2,0,0]=4 63 B13R1.20 CCOC(=O)Cc1cc(ccn1)Br AB56161 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.20 CCOC(=O)Cc1cc(ccn1)Cl AB62486 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.20 CCOC(=O)Cc1cc(ccn1)F AB73183 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.20 CCOC(=O)Cc1cc(cnc1)F PB16652 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.20 CCOC(=O)Cc1cc(ncn1)C PB27466 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.20 CCOC(=O)Cc1cccc(n1)Br AB56168 [0,1,0,0,1,0|1,0,0]=3 69 B13R1.20 CCOC(=O)Cc1cccc(n1)C AB62471 [0,1,0,0,1,0|1,0,0]=3 70 B13R1.20 CCOC(=O)Cc1cccc(n1)N AB51555 [0,1,0,0,1,0|1,0,0]=3 71 B13R1.20 CCOC(=O)Cc1ccnc(c1)F AB72863 [0,1,0,0,1,0|1,0,0]=3 72 B13R1.20 CCOC(=O)Cc1cncc(n1)Cl AB69951 [0,1,0,0,1,0|2,0,0]=4 73 B13R1.20 CCOC(=O)Cc1nccc(n1)Cl AB58887 [0,1,0,0,1,0|2,0,0]=4 74 B13R1.47 CCOC(=O)C(=O)c1ccccn1 PB27742 [0,1,0,0,1,0|1,0,1]=4 75 B13R1.47 CCOC(=O)C(c1ccccn1)N PB12827 [0,1,0,0,1,0|1,0,0]=3 76 B13R1.470 CCOC(=O)Cc1c(cccn1)C AB62477 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.470 CCOC(=O)Cc1c(cccn1)N AB64428 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.470 CCOC(=O)Cc1c(nccn1)Cl AB70725 [0,1,0,0,1,0|2,0,0]=4 79 B13R1.470 CCOC(=O)Cc1ccccc1Cl AB50422 [0,1,0,0,1,0|0,0,0]=2 80 B13R1.470 CCOC(=O)Cc1ccccc1N AB06648 [0,1,0,0,1,0|0,0,0]=2 81 B13R1.470 CCOC(=O)Cc1ccccc1N AB26285 [0,1,0,0,1,0|0,0,0]=2 82 B13R1.470 CCOC(=O)Cc1cccnc1Cl PB27136 [0,1,0,0,1,0|1,0,0]=3 83 B13R1.470 CCOC(=O)Cc1ccncc1N AB64424 [0,1,0,0,1,0|1,0,0]=3 84 B13R1.33 CCOC(=O)CC(=O)c1ccco1 AB03499 [0,1,0,0,1,0|1,0,1]=4 85 B13R1.33 CCOC(=O)CC(=O)c1cccs1 PB17170 [0,1,0,0,1,0|1,0,1]=4 86 B13R1.444 CCOC(=O)CCC1=C(C=NC1)C MB14624 [0,1,0,0,1,0|1,0,1]=4 87 B15R1.89 CCOC(=O)\C=C\C(=O)c1ccccc1 AB01053 [0,1,0,0,0,1|0,0,2]=4 88 B15R1.809 CCOC(=O)\C=C(\C)/Nc1ccccc1 MB00581 [0,1,0,0,0,1|0,0,2]=4 89 B15R1.10389 CCOC(=O)CCc1cccc(c1)C#N MB05777 [0,2,0,0,0,0|0,0,0]=2 90 B15R1.10389 CCOC(=O)CCc1cccc(c1)C=O MB05771 [0,2,0,0,0,0|0,0,0]=2 91 B15R1.10389 CCOC(=O)CCc1cccc(c1)CN MB05779 [0,2,0,0,0,0|0,0,0]=2 92 B15R1.10389 CCOC(=O)COc1cccc(c1)C#N AB26127 [0,2,0,0,0,0|1,0,0]=3 93 B15R1.10389 CCOC(=O)COc1cccc(c1)OC AB08347 [0,2,0,0,0,0|1,0,0]=3 94 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)O AB24944 [0,2,0,0,0,0|1,0,0]=3 95 B15R1.3960 CCOC(=O)C(Cc1ccccc1C)N AB21680 [0,2,0,0,0,0|0,0,0]=2 96 B15R1.10540 CCOC(=O)[C@@](C)(Cc1ccccc1)O AB21892 [0,2,0,0,0,0|0,0,0]=2 97 B15R1.10540 CCOC(=O)[C@](C)(Cc1ccccc1)O AB21890 [0,2,0,0,0,0|0,0,0]=2 98 B15R1.78 C#CCCNC(=O)OCc1ccccc1 AB61411 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.78 c1ccc(cc1)COC(=O)NCCCBr AB09886 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.741 CC(C#C)NC(=O)OCc1ccccc1 AB85627 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.741 C[C@@H](C#C)NC(=O)OCc1ccccc1 AB85632 [0,2,0,0,0,0|2,0,0]=4 102 B15R1.741 C[C@H](C#C)NC(=O)OCc1ccccc1 AB85629 [0,2,0,0,0,0|2,0,0]=4 103 B15R1.793 CCOC(=O)CCc1ccc(cc1)C#N MB05758 [0,2,0,0,0,0|0,0,0]=2 104 B15R1.793 CCOC(=O)CCc1ccc(cc1)C=O MB05765 [0,2,0,0,0,0|0,0,0]=2 105 B15R1.793 CCOC(=O)COc1ccc(cc1)C#N AB09718 [0,2,0,0,0,0|1,0,0]=3 106 B15R1.793 CCOC(=O)COc1ccc(cc1)OC AB05981 [0,2,0,0,0,0|1,0,0]=3 107 B15R1.793 CCOC(=O)\C=C\c1ccc(cc1)C=O AB16694 [0,2,0,0,0,0|0,0,2]=4 108 B15R1.768 CCOC(=O)CCc1ccccc1C=O MB05786 [0,2,0,0,0,0|0,0,0]=2 109 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)Cl MB01313 [0,2,0,0,0,0|1,0,0]=3 110 B15R1.3465 CC(C)(C)OC(=O)NCc1ccccn1 AB32204 [0,2,0,0,0,0|2,0,0]=4 111 B15R1.3465 CC(C)(C)OC(=O)NCc1cccnc1 AB25205 [0,2,0,0,0,0|2,0,0]=4 112 B13R2.3 c1ccc(cc1)C2CCCNC2 AB07314 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.3 c1ccc(cc1)C2CCNCC2 AB00564 [1,0,0,1,0,0|1,0,1]=4 114 B13R2.3 c1ccc(cc1)[C@@H]2CCCNC2 AB16327 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.3 c1ccc(cc1)[C@H]2CCCNC2 AB16326 [1,0,0,1,0,0|2,0,0]=4 116 B13R2.64 c1ccc(cc1)CC2CCCN2 AB09388 [1,0,0,1,0,0|2,0,0]=4 117 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [1,0,0,1,0,0|1,0,0]=3 118 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [1,0,0,1,0,0|0,0,0]=2 119 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 CB10902 [1,0,0,1,0,0|1,1,0]=4 120 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,0,0,1,1,0|1,0,0]=3 121 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [0,0,0,1,1,0|2,0,0]=4 122 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [0,0,0,1,1,0|2,0,0]=4 123 B15R2.31 c1ccc(cc1)CC2CNCC(=O)N2 AB37363 [0,0,0,1,0,1|2,0,0]=4 124 B15R2.31 c1ccc(cc1)C[C@@H]2CNCC(=O)N2 AB37368 [0,0,0,1,0,1|2,0,0]=4 125 B15R2.31 c1ccc(cc1)C[C@H]2CNCC(=O)N2 AB37365 [0,0,0,1,0,1|2,0,0]=4 126 B15R2.73 CCOC(=O)C1C=Nc2c1cccc2 AB72117 [0,0,0,1,0,1|0,0,1]=3 127 B15R2.73 CCOC(=O)c1c2ccccc2on1 AB26307 [0,0,0,1,0,1|1,0,1]=4 128 B15R2.38 c1cc(cnc1)CC2C(=O)NCCN2 AB38225 [0,1,0,1,0,0|2,0,0]=4 129 B15R2.38 c1cc(cnc1)C[C@@H]2C(=O)NCCN2 AB38232 [0,1,0,1,0,0|2,0,0]=4 130 B15R2.38 c1cc(cnc1)C[C@H]2C(=O)NCCN2 AB38228 [0,1,0,1,0,0|2,0,0]=4 131 B15R2.38 c1ccc(cc1)CC2C(=O)NCCN2 AB37816 [0,1,0,1,0,0|1,0,0]=3 132 B15R2.38 c1ccc(cc1)CN2CCC=CC2=O MB05639 [0,1,0,1,0,0|2,0,0]=4 133 B15R2.38 c1ccc(cc1)CN2CCNCC2=O AB17107 [0,1,0,1,0,0|2,0,0]=4 134 B15R2.38 c1ccc(cc1)C[C@H]2C(=O)NCCN2 AB37824 [0,1,0,1,0,0|1,0,0]=3 135 B15R2.38 c1ccnc(c1)CC2C(=O)NCCN2 AB38221 [0,1,0,1,0,0|2,0,0]=4 136 B15R2.38 c1ccnc(c1)C[C@@H]2C(=O)NCCN2 AB38224 [0,1,0,1,0,0|2,0,0]=4 137 B15R2.38 c1ccnc(c1)C[C@H]2C(=O)NCCN2 AB38223 [0,1,0,1,0,0|2,0,0]=4 138 B15R2.38 c1cnccc1CC2C(=O)NCCN2 AB38234 [0,1,0,1,0,0|2,0,0]=4 139 B15R2.38 c1cnccc1C[C@@H]2C(=O)NCCN2 AB38238 [0,1,0,1,0,0|2,0,0]=4 140 B15R2.38 c1cnccc1C[C@H]2C(=O)NCCN2 AB38235 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,0,0,0,1,0|1,0,0]=3 142 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [1,0,0,0,1,0|1,0,0]=3 143 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [1,0,0,0,1,0|1,0,0]=3 144 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [1,0,0,0,1,0|2,0,0]=4 145 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [1,0,0,0,1,0|1,0,0]=3 146 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [1,0,0,0,1,0|2,0,0]=4 147 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [1,0,0,0,1,0|2,0,0]=4 148 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [1,0,0,0,1,0|2,0,0]=4 149 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [1,0,0,0,1,0|1,0,1]=4 150 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,0,0,0,2,0|1,0,0]=3 151 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [0,0,0,0,2,0|2,0,0]=4 152 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,0,0,0,2,0|2,0,0]=4 153 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,0,0,0,2,0|1,0,0]=3 154 B11R1.30 CCOC(=O)CC1=NC=CC1 PB18028 [0,0,0,0,2,0|1,0,1]=4 155 B11R1.30 CCOC(=O)Cc1ncco1 AB62459 [0,0,0,0,2,0|2,0,0]=4