0 B13R1.713 CC(=O)N[C@@H](CO)c1ccccc1 CSC011995718 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.107 CN(CC(=O)O)c1ccccn1 CSC015360306 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.107 NC(=O)CS(=O)c1ccccc1 CSC000064346 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C CSC000154481 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.1020 CCN(CC(=O)O)c1cccc(c1)C CSC011410281 [0,1,0,0,0,0|2,0,0]=3 10 B14R1.1020 CCN(CC(=O)O)c1cccc(c1)Cl CSC011356034 [0,1,0,0,0,0|2,0,0]=3 11 B14R1.1020 CCN(CC(=O)O)c1cccc(c1)Cl CSC011356034 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 CSC000188308 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.6474 CCN(CC(=O)N)c1ccccc1Cl CSC027496827 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.2 OC(=O)CN1CCc2c1cccc2 CSC011192162 [0,0,0,1,0,0|2,0,0]=3 15 B14R2.2 OC(=O)CN1CCc2c1cccc2 CSC011192162 [0,0,0,1,0,0|2,0,0]=3 16 B14R2.2 OC(=O)Cn1cnc2c1cccc2 CSC000182354 [0,0,0,1,0,0|1,0,2]=4 17 B12R1.478 CCC(C(=O)N)c1ccccc1 CSC000192809 [0,0,0,0,1,0|2,0,0]=3 18 B12R1.478 CCN(C(=O)C)c1ccccc1 CSC000189716 [0,0,0,0,1,0|3,0,0]=4 19 B12R1.478 COC(C(=O)N)c1ccccc1 CSC011347434 [0,0,0,0,1,0|3,0,0]=4 20 B14R1.549 CCC(Cc1ccccc1)NC(=O)C CSC000011921 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.91 OC(=O)CSc1ccccn1 CSC000156281 [2,0,0,0,0,0|2,0,0]=4 25 B13R1.26 CCC(NCCO)c1ccccc1 CSC000713835 [1,1,0,0,0,0|1,0,1]=4 26 B13R1.11 CC(NC(=O)CN)c1ccccc1 CSC000168438 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.11 CCC(=O)NC(C)c1ccccc1 CSC000158022 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 CSC011908461 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.11 CCC(=O)OC(C)c1ccccc1 CSC000000838 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.11 CNC(=O)CC(C)c1ccccc1 CSC000002954 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.11 COC(=O)CC(C)c1ccccc1 CSC000000072 [1,1,0,0,0,0|0,0,0]=2 32 B13R1.11 COC(=O)NC(C)c1ccccc1 CSC000235971 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Br CSC000153805 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.132 CC(NC(=O)C)c1ccc(cc1)C CSC011237556 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Cl CSC000153794 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.132 CC(NC(=O)N)c1ccc(cc1)Br CSC000238882 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.132 CN(CC(=O)O)c1ccc(cn1)I CSC056773533 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.147 CN(CC(=O)O)c1cc(ccn1)Br CSC015239903 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.147 CN(CC(=O)O)c1cncc(c1)Br CSC015274412 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.201 CN(CC(=O)O)c1ccccc1F CSC011585902 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.201 CN(CC(=O)O)c1ccncc1Br CSC015460234 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.201 CN(CC(=O)O)c1ccncc1Cl CSC015531682 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.201 CN(CC(=O)O)c1ncccc1Br CSC015685921 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.201 CN(CC(=O)O)c1ncccc1Cl CSC021657929 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.201 CN(CC(=O)O)c1ncccc1I CSC057519311 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.1111 CC(C)C(C(=O)N)c1ccccc1 CSC009878374 [0,1,0,0,1,0|2,0,0]=4 47 B15R1.1097 CCC(CNC(=O)CC)c1ccccc1 CSC000016846 [0,1,0,0,0,1|2,0,0]=4 48 B15R1.1097 CCC(CNC(=O)CN)c1ccccc1 CSC039877080 [0,1,0,0,0,1|2,0,0]=4 49 B15R1.1350 CCC(N(C)CC(=O)O)c1ccccc1 CSC012046785 [0,1,0,0,0,1|1,0,0]=3 50 B15R1.1350 CCC(N(C)CC(=O)O)c1ccccc1 CSC012046785 [0,1,0,0,0,1|1,0,0]=3 51 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)Br CSC011394941 [0,1,0,0,0,1|2,0,0]=4 52 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)C CSC011394812 [0,1,0,0,0,1|2,0,0]=4 53 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)F CSC011394814 [0,1,0,0,0,1|2,0,0]=4 54 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)Br CSC011394821 [0,1,0,0,0,1|2,0,0]=4 55 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)Br CSC011394821 [0,1,0,0,0,1|2,0,0]=4 56 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)C CSC011394815 [0,1,0,0,0,1|2,0,0]=4 57 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)Cl CSC011394853 [0,1,0,0,0,1|2,0,0]=4 58 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)Cl CSC011394853 [0,1,0,0,0,1|2,0,0]=4 59 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)F CSC011192449 [0,1,0,0,0,1|2,0,0]=4 60 B15R1.670 CCN(CC(=O)O)Cc1ccccc1Br CSC011394874 [0,1,0,0,0,1|2,0,0]=4 61 B15R1.670 CCN(CC(=O)O)Cc1ccccc1Br CSC011394874 [0,1,0,0,0,1|2,0,0]=4 62 B15R1.670 CCN(CC(=O)O)Cc1ccccc1C CSC011394819 [0,1,0,0,0,1|2,0,0]=4 63 B15R1.670 CCN(CC(=O)O)Cc1ccccc1C CSC011394819 [0,1,0,0,0,1|2,0,0]=4 64 B15R1.670 CCN(CC(=O)O)Cc1ccccc1F CSC011394858 [0,1,0,0,0,1|2,0,0]=4 65 B15R1.671 CCN(Cc1ccccc1)C(C)C(=O)O CSC011250177 [0,1,0,0,0,1|2,0,0]=4 66 B15R1.1310 NCCN(CC(=O)N)Cc1ccccc1 CSC011396260 [0,1,0,0,0,1|2,0,0]=4 67 B15R1.1310 OCCN(CC(=O)O)Cc1ccccc1 CSC011611852 [0,1,0,0,0,1|2,0,0]=4 68 B15R1.1357 CCN(CC(=O)O)C(=O)c1ccccc1 CSC011394562 [0,1,0,0,0,1|2,0,0]=4 69 B15R1.3197 CCC(=O)N(CC(=O)O)c1ccccc1 CSC011354806 [0,2,0,0,0,0|2,0,0]=4 70 B15R1.9083 CC(O)CN(CC(=O)O)c1ccccc1 CSC011365168 [0,2,0,0,0,0|2,0,0]=4 71 B15R1.3128 CCN(CC(=O)O)c1ccc(c(c1)F)F CSC019514636 [0,2,0,0,0,0|2,0,0]=4 72 B15R1.3826 CCC(NC(=O)OC)c1ccc(cc1)C CSC000022129 [0,2,0,0,0,0|2,0,0]=4 73 B15R1.14004 CCN(CC(=O)O)c1ccc(cc1C)C CSC017448825 [0,2,0,0,0,0|2,0,0]=4 74 B15R1.62 CCN(CC(=O)O)c1cccc(c1)OC CSC017448828 [0,2,0,0,0,0|2,0,0]=4 75 B15R1.62 CCN(CC(=O)O)c1cccc(c1)OC CSC017448828 [0,2,0,0,0,0|2,0,0]=4 76 B15R1.1360 CCN(CC(=O)O)c1cccc(c1C)C CSC019681709 [0,2,0,0,0,0|2,0,0]=4 77 B15R1.1360 CCN(CC(=O)O)c1cccc(c1C)C CSC019681709 [0,2,0,0,0,0|2,0,0]=4 78 B15R1.3120 CCN(CC(=O)O)c1cc(ccc1C)C CSC017448823 [0,2,0,0,0,0|2,0,0]=4 79 B15R1.3120 CCN(CC(=O)O)c1cc(ccc1C)C CSC017448823 [0,2,0,0,0,0|2,0,0]=4 80 B15R1.3122 CCN(CC(=O)O)c1cc(cc(c1)C)C CSC018930756 [0,2,0,0,0,0|2,0,0]=4 81 B15R1.3122 CCN(CC(=O)O)c1cc(cc(c1)C)C CSC018930756 [0,2,0,0,0,0|2,0,0]=4 82 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 CSC000188310 [0,2,0,0,0,0|2,0,0]=4 83 B15R1.349 CC(C)N(CC(=O)O)c1ccccc1C CSC010364891 [0,2,0,0,0,0|2,0,0]=4 84 B13R2.10 O=C1CC(=NN1)c2ccccc2 CSC000175146 [1,0,0,1,0,0|1,0,1]=4 85 B13R2.439 NC(=O)C1(CC1)c2ccccc2 CSC000192825 [0,0,0,1,1,0|2,0,0]=4 86 B15R2.1668 OC(=O)CN1CCc2ccccc2C1 CSC015184552 [0,0,0,1,0,1|2,0,0]=4 87 B15R2.377 OC(=O)CN1CCc2c1ccc(c2)Br CSC010970022 [0,1,0,1,0,0|2,0,0]=4 88 B15R2.9410 OC(=O)CN1CCc2c1cc(cc2)Br CSC015214143 [0,1,0,1,0,0|2,0,0]=4 89 B15R2.13587 OC(=O)CN1CCc2c1cccc2Cl CSC015398152 [0,1,0,1,0,0|2,0,0]=4 90 B15R2.4 COC(=O)Cc1n[nH]c2c1cccc2 CSC000055091 [0,1,0,1,0,0|1,0,1]=4 91 B15R2.993 CC1Cc2ccccc2N1CC(=O)O CSC015185126 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [1,0,0,0,1,0|2,0,0]=4 93 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [1,0,0,0,1,0|2,0,0]=4 94 B13R1.45 CC(CNC(=O)C)c1ccccc1 CSC000154521 [1,0,0,0,0,1|1,0,0]=3 95 B15R1.4008 CCN(CCC(=O)O)Cc1ccccc1 CSC000177966 [0,0,0,0,0,2|2,0,0]=4 96 B15R1.5331 CCN(CCCC(=O)O)c1ccccc1 CSC011247050 [0,0,0,0,0,2|2,0,0]=4 97 B15R1.5331 CCN(CCCC(=O)O)c1ccccc1 CSC011247050 [0,0,0,0,0,2|2,0,0]=4 98 B15R1.5336 CCN(CCc1ccccc1)CC(=O)O CSC011394810 [0,0,0,0,0,2|2,0,0]=4