0 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [1,0,0,0,0,0|1,0,0]=2 1 B12R1.32 CCOC(=O)Cc1cnccn1 AB62539 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.32 CCOC(=O)Cc1ncccn1 PB14776 [1,0,0,0,0,0|2,0,0]=3 3 B14R1.433 CC(C)(C)OC(=O)Nc1ccccc1 AB01955 [0,1,0,0,0,0|1,0,0]=2 4 B14R1.433 CC(C)(C)OC(=O)Nc1ccccn1 AB14184 [0,1,0,0,0,0|2,0,0]=3 5 B14R1.433 CC(C)(C)OC(=O)Nc1cccnc1 AB11052 [0,1,0,0,0,0|2,0,0]=3 6 B14R1.433 CC(C)(C)OC(=O)Nc1ccncc1 AB11054 [0,1,0,0,0,0|2,0,0]=3 7 B14R1.433 CC(C)(C)OC(=O)Nc1ccnnc1 PB21413 [0,1,0,0,0,0|3,0,0]=4 8 B14R1.433 c1ccc(cc1)CC(=O)CC(F)(F)F AB70560 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.549 CN(C)\C=C(/Cc1ccccc1)\C=O CB12063 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,0,0,0,1,0|2,0,0]=3 11 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [2,0,0,0,0,0|1,0,0]=3 12 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [2,0,0,0,0,0|1,0,0]=3 13 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [2,0,0,0,0,0|1,0,0]=3 14 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [2,0,0,0,0,0|1,0,1]=4 20 B13R1.19 CCOC(=O)Cc1ccc(cn1)Br PB32861 [1,1,0,0,0,0|1,0,0]=3 21 B13R1.19 CCOC(=O)Cc1ccc(cn1)C AB62474 [1,1,0,0,0,0|1,0,0]=3 22 B13R1.19 CCOC(=O)Cc1ccc(cn1)Cl AB62485 [1,1,0,0,0,0|1,0,0]=3 23 B13R1.19 CCOC(=O)Cc1ccc(cn1)I PB37907 [1,1,0,0,0,0|1,0,0]=3 24 B13R1.19 CCOC(=O)Cc1ccc(cn1)N PB35666 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.19 CCOC(=O)Cc1ccc(cn1)O PB13946 [1,1,0,0,0,0|1,0,0]=3 26 B13R1.19 CCOC(=O)Cc1ccc(nn1)Cl PB34482 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.19 CCOC(=O)Cc1cnc(cn1)C AB70233 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.19 CCOC(=O)Cc1cnc(cn1)Cl AB70230 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.19 CCOC(=O)Cc1cnc(cn1)N AB70237 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.19 CCOC(=O)Cc1ncc(cn1)Br PB25238 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.19 CCOC(=O)Cc1ncc(cn1)Cl AB58665 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.19 CCOC(=O)Cc1ncc(cn1)F AB68740 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.19 CCOC(=O)Cc1ncc(cn1)N AB59192 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.20 CCOC(=O)Cc1cc(ccn1)Br AB56161 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.20 CCOC(=O)Cc1cc(ccn1)Cl AB62486 [1,1,0,0,0,0|1,0,0]=3 36 B13R1.20 CCOC(=O)Cc1cc(ccn1)F AB73183 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.20 CCOC(=O)Cc1cc(cnc1)F PB16652 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.20 CCOC(=O)Cc1cc(ncn1)C PB27466 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.20 CCOC(=O)Cc1cccc(n1)Br AB56168 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.20 CCOC(=O)Cc1cccc(n1)C AB62471 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.20 CCOC(=O)Cc1cccc(n1)N AB51555 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.20 CCOC(=O)Cc1ccnc(c1)F AB72863 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.20 CCOC(=O)Cc1cncc(n1)Cl AB69951 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.20 CCOC(=O)Cc1nccc(n1)Cl AB58887 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.47 CCOC(=O)C(=O)c1ccccn1 PB27742 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.47 CCOC(=O)C(c1ccccn1)N PB12827 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.470 CCOC(=O)Cc1c(cccn1)C AB62477 [1,1,0,0,0,0|1,0,0]=3 48 B13R1.470 CCOC(=O)Cc1c(cccn1)N AB64428 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.470 CCOC(=O)Cc1c(nccn1)Cl AB70725 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.470 CCOC(=O)Cc1ccccc1Cl AB50422 [1,1,0,0,0,0|0,0,0]=2 51 B13R1.470 CCOC(=O)Cc1ccccc1N AB06648 [1,1,0,0,0,0|0,0,0]=2 52 B13R1.470 CCOC(=O)Cc1ccccc1N AB26285 [1,1,0,0,0,0|0,0,0]=2 53 B13R1.470 CCOC(=O)Cc1cccnc1Cl PB27136 [1,1,0,0,0,0|1,0,0]=3 54 B13R1.470 CCOC(=O)Cc1ccncc1N AB64424 [1,1,0,0,0,0|1,0,0]=3 55 B13R1.3523 CC(C)(COCc1ccccc1)O AB84932 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.353 CC(C)(C)C(=O)Nc1ccccn1 AB06089 [0,1,0,0,1,0|2,0,0]=4 57 B13R1.353 CC(C)(C)C(=O)Nc1cccnc1 AB07935 [0,1,0,0,1,0|2,0,0]=4 58 B13R1.353 CC(C)(C)C(=O)Nc1ccncc1 AB07936 [0,1,0,0,1,0|2,0,0]=4 59 B13R1.1116 CC(C)(C)OC(=O)Nc1ccoc1 AB53464 [0,1,0,0,1,0|2,0,0]=4 60 B13R1.1116 CC(C)(C)OC(=O)Nn1cccc1 MB07933 [0,1,0,0,1,0|2,0,0]=4 61 B15R1.741 CC(C#C)NC(=O)OCc1ccccc1 AB85627 [0,1,0,0,0,1|1,0,1]=4 62 B15R1.741 C[C@@H](C#C)NC(=O)OCc1ccccc1 AB85632 [0,1,0,0,0,1|1,0,1]=4 63 B15R1.741 C[C@H](C#C)NC(=O)OCc1ccccc1 AB85629 [0,1,0,0,0,1|1,0,1]=4 64 B15R1.3465 CC(C)(C)OC(=O)NCc1ccccn1 AB32204 [0,1,0,0,0,1|1,0,0]=3 65 B15R1.3465 CC(C)(C)OC(=O)NCc1cccnc1 AB25205 [0,1,0,0,0,1|1,0,0]=3 66 B15R1.3465 CC(C)(C)OC(=O)NCc1ncccn1 PB16411 [0,1,0,0,0,1|2,0,0]=4 67 B15R1.31838 CC(C)(C)OC(=O)NC1=CC=CNC=C1 PB35475 [0,1,0,0,0,1|1,0,0]=3 68 B15R1.5802 CC(C)(C)OC(=O)Nc1c(cccn1)I AB31899 [0,2,0,0,0,0|2,0,0]=4 69 B15R1.5802 CC(C)(C)OC(=O)Nc1cccnc1Br AB31388 [0,2,0,0,0,0|2,0,0]=4 70 B15R1.5802 CC(C)(C)OC(=O)Nc1ccncc1Br AB10028 [0,2,0,0,0,0|2,0,0]=4 71 B15R1.5802 CC(C)(C)OC(=O)Nc1ccncc1I AB21339 [0,2,0,0,0,0|2,0,0]=4 72 B15R1.5802 CC(C)(C)OC(=O)Nc1cnccc1Br AB22241 [0,2,0,0,0,0|2,0,0]=4 73 B15R1.5802 CC(C)(C)OC(=O)Nc1cnccc1I AB21340 [0,2,0,0,0,0|2,0,0]=4 74 B15R1.3977 CC(C)(C)NC(=O)C(c1ccccc1)N AB07805 [0,2,0,0,0,0|1,0,0]=3 75 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cc1)N CB10155 [0,2,0,0,0,0|1,0,0]=3 76 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cn1)Br AB25298 [0,2,0,0,0,0|2,0,0]=4 77 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cn1)Cl AB64097 [0,2,0,0,0,0|2,0,0]=4 78 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cn1)I AB16215 [0,2,0,0,0,0|2,0,0]=4 79 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cn1)O AB53587 [0,2,0,0,0,0|2,0,0]=4 80 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(nc1)Br AB30814 [0,2,0,0,0,0|2,0,0]=4 81 B15R1.913 Cc1ccc(cn1)NC(=O)OC(C)(C)C AB70414 [0,2,0,0,0,0|2,0,0]=4 82 B15R1.8303 CC(C)(C)OC(=O)Nc1cc(ccn1)Br PB34352 [0,2,0,0,0,0|2,0,0]=4 83 B15R1.8303 CC(C)(C)OC(=O)Nc1cc(ccn1)Cl AB21843 [0,2,0,0,0,0|2,0,0]=4 84 B15R1.8303 CC(C)(C)OC(=O)Nc1cc(ccn1)I AB43777 [0,2,0,0,0,0|2,0,0]=4 85 B15R1.8303 CC(C)(C)OC(=O)Nc1cc(cnc1)Br AB31358 [0,2,0,0,0,0|2,0,0]=4 86 B15R1.8303 CC(C)(C)OC(=O)Nc1cc[nH]c(=O)c1 PB11715 [0,2,0,0,0,0|2,0,0]=4 87 B15R1.8303 CC(C)(C)OC(=O)Nc1ccc[n+](c1)C AB70420 [0,2,0,0,0,0|2,0,0]=4 88 B15R1.8303 CC(C)(C)OC(=O)Nc1cccc(c1)Cl AB30559 [0,2,0,0,0,0|1,0,0]=3 89 B15R1.8303 CC(C)(C)OC(=O)Nc1cccc(c1)I MB06550 [0,2,0,0,0,0|1,0,0]=3 90 B15R1.8303 CC(C)(C)OC(=O)Nc1cccc(n1)Br AB31429 [0,2,0,0,0,0|2,0,0]=4 91 B15R1.8303 CC(C)(C)OC(=O)Nc1cccc(n1)I AB42505 [0,2,0,0,0,0|2,0,0]=4 92 B15R1.8303 CC(C)(C)OC(=O)Nc1ccnc(c1)Br AB16213 [0,2,0,0,0,0|2,0,0]=4 93 B15R1.8303 CC(C)(C)OC(=O)Nc1ccnc(c1)Cl PB27814 [0,2,0,0,0,0|2,0,0]=4 94 B15R1.8303 CC(C)(C)OC(=O)Nc1ccnc(c1)I AB43771 [0,2,0,0,0,0|2,0,0]=4 95 B15R1.8303 Cc1cccc(n1)NC(=O)OC(C)(C)C AB42387 [0,2,0,0,0,0|2,0,0]=4 96 B15R1.8303 Cc1ccnc(c1)NC(=O)OC(C)(C)C AB42386 [0,2,0,0,0,0|2,0,0]=4 97 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [1,0,0,1,0,0|1,0,0]=3 98 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.3122 CC1(CNCc2c1cccc2)C MB05480 [1,0,0,1,0,0|2,0,0]=4 101 B13R2.3122 CC1(c2ccccc2CCN1)C AB62583 [1,0,0,1,0,0|1,0,1]=4 102 B13R2.359 CC1(c2ccccc2NC1=O)C MB00789 [0,0,0,1,1,0|1,0,0]=3 103 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,0,0,1,1,0|2,0,0]=4 104 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,0,0,1,1,0|1,0,0]=3 105 B13R2.12159 CC1(c2ccccc2C(=O)N1)C PB38777 [0,0,0,1,1,0|1,0,0]=3 106 B13R2.12159 CC1(c2ccccc2C(=O)O1)C AB04969 [0,0,0,1,1,0|0,0,0]=2 107 B15R2.325 c1ccc(cc1)CN2CC(CC2=O)N MB08337 [0,0,0,1,0,1|2,0,0]=4 108 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [1,0,0,0,1,0|1,0,0]=3 109 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [1,0,0,0,1,0|2,0,0]=4 110 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,0,0,0,1,0|2,0,0]=4 111 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [1,0,0,0,1,0|1,0,0]=3 112 B11R1.30 CCOC(=O)CC1=NC=CC1 PB18028 [1,0,0,0,1,0|1,0,1]=4 113 B11R1.30 CCOC(=O)Cc1ncco1 AB62459 [1,0,0,0,1,0|2,0,0]=4 114 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [0,0,0,0,2,0|2,0,0]=4