0 B17R1.130906 CCC(C(=O)C(C)CCO)c1ccccc1Cl 1458a_100011667493_100009893172 [0,0,1,0,0,0|3,0,0]=4 1 B17R1.130906 CCC(C(=O)C(C)COC)c1ccccc1Cl 1458a_100011667493_100000765312 [0,0,1,0,0,0|3,0,0]=4 2 B17R1.130906 CCCC(C)C(=O)C(CC)c1ccccc1Cl 1458a_100011667493_100000766640 [0,0,1,0,0,0|2,0,0]=3 3 B17R1.130906 CCCC(C)C(=O)C(OC)c1ccccc1C 1458a_100012277922_100000766640 [0,0,1,0,0,0|3,0,0]=4 4 B17R1.130906 CCCC(C)C(=O)C(OC)c1ccccc1F 1458a_100012277919_100000766640 [0,0,1,0,0,0|2,1,0]=4 5 B17R1.130906 CCCN(C)C(=O)C(CC)c1ccccc1Cl 11a_100000747261_100011667493 [0,0,1,0,0,0|3,0,0]=4 6 B17R1.130906 CCCN(C)C(=O)C(CC)c1ccccc1Cl 1626a_100000747261_100011667493 [0,0,1,0,0,0|3,0,0]=4 7 B17R1.130906 CCCN(C)C(=O)C(CC)c1ccccc1Cl 240690a_100000747261_100011667493 [0,0,1,0,0,0|3,0,0]=4 8 B17R1.130906 CCCN(C)C(=O)C(CC)c1ccccc1Cl 527a_100000747261_100011667493 [0,0,1,0,0,0|3,0,0]=4 9 B17R1.130906 CCC[C@H](O)C(=O)N(CC)c1ccccc1C 22a_100000211084_100009822183 [0,0,1,0,0,0|3,0,0]=4 10 B17R1.130906 CCC[C@H](O)C(=O)N(CC)c1ccccc1O 22a_103624766699_100009822183 [0,0,1,0,0,0|3,0,0]=4 11 B16R1.4679 CC[C@H](NCCCC=O)c1ccccc1Cl 2230a_200016987949_200011292268 [1,0,1,0,0,0|2,0,0]=4 12 B16R1.16971 C=CC(O)COCC(N)c1ccccc1Cl 34a_100138412506_100000730141 [1,0,1,0,0,0|2,0,0]=4 13 B16R1.14145 CCC(CC)(C(=O)C(C)C)c1ccccc1 1458a_100000765338_100000210206 [1,0,1,0,0,0|2,0,0]=4 14 B16R1.2644 CCC(C)C(=O)C(CC)c1ccccc1Cl 1458a_100011667493_100000758301 [1,0,1,0,0,0|2,0,0]=4 15 B16R1.4559 CCCC(C)C(=O)C(CC)c1ccccc1 1458a_100000211302_100000766640 [1,0,1,0,0,0|2,0,0]=4 16 B16R1.4559 CCCC(C)C(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000766640 [1,0,1,0,0,0|2,0,0]=4 17 B16R1.4559 CCC[C@H](O)C(=O)N(CC)c1ccccc1 22a_100000210013_100009822183 [1,0,1,0,0,0|2,0,0]=4 18 B16R1.13247 CC(CCO)C(=O)C(C)c1ccccc1Cl 1458a_100011667492_100009893172 [1,0,1,0,0,0|2,0,0]=4 19 B16R1.13247 CCCC(C)C(=O)C(C)c1ccccc1Br 1458a_100012359601_100000766640 [1,0,1,0,0,0|1,1,0]=4 20 B16R1.13247 CCCC(C)C(=O)C(C)c1ccccc1Cl 1458a_100000210906_100000181259 [1,0,1,0,0,0|1,0,0]=3 21 B16R1.13247 CCCC(C)C(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000766640 [1,0,1,0,0,0|1,0,0]=3 22 B16R1.13247 CCCC(C)C(=O)C(C)c1ccccc1F 1458a_100000210906_200000741388 [1,0,1,0,0,0|1,1,0]=4 23 B16R1.13247 CCCC(C)C(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000766640 [1,0,1,0,0,0|2,0,0]=4 24 B16R1.13247 CCCC(C)C(=O)N(C)c1ccccc1Cl 11a_100000219374_100000210906 [1,0,1,0,0,0|2,0,0]=4 25 B16R1.13247 CCCC(C)C(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000210906 [1,0,1,0,0,0|2,0,0]=4 26 B16R1.13247 CCCN(C)C(=O)C(C)c1ccccc1Cl 11a_100000747261_100011667492 [1,0,1,0,0,0|2,0,0]=4 27 B16R1.13247 CCCN(C)C(=O)C(C)c1ccccc1Cl 1626a_100000747261_100011667492 [1,0,1,0,0,0|2,0,0]=4 28 B16R1.13247 CCCN(C)C(=O)C(C)c1ccccc1Cl 240690a_100000747261_100011667492 [1,0,1,0,0,0|2,0,0]=4 29 B16R1.13247 CCCN(C)C(=O)C(C)c1ccccc1Cl 527a_100000747261_100011667492 [1,0,1,0,0,0|2,0,0]=4 30 B16R1.13247 CCC[C@H](O)C(=O)C(C)c1ccccc1Cl 1458a_100009822183_100000181259 [1,0,1,0,0,0|0,0,0]=2 31 B16R1.13247 CCC[C@H](O)C(=O)C(C)c1ccccc1F 1458a_100009822183_200000741388 [1,0,1,0,0,0|0,1,0]=3 32 B16R1.13247 CCC[C@H](O)C(=O)N(C)c1ccccc1C 22a_100000219699_100009822183 [1,0,1,0,0,0|2,0,0]=4 33 B16R1.13247 CCC[C@H](O)C(=O)N(C)c1ccccc1F 22a_100000220357_100009822183 [1,0,1,0,0,0|1,1,0]=4 34 B16R1.13247 CCC[C@H](O)C(=O)N(C)c1ccccc1O 22a_100000033821_100009822183 [1,0,1,0,0,0|2,0,0]=4 35 B16R1.13247 CCOC(C)C(=O)C(C)c1ccccc1Cl 1458a_100000739345_100000181259 [1,0,1,0,0,0|2,0,0]=4 36 B16R1.13247 CCSC(C)C(=O)C(C)c1ccccc1Cl 1458a_100000230601_100000181259 [1,0,1,0,0,0|2,0,0]=4 37 B16R1.13247 COCC(C)C(=O)C(C)c1ccccc1Cl 1458a_100000751857_100000181259 [1,0,1,0,0,0|2,0,0]=4 38 B16R1.13247 COCC(C)C(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000765312 [1,0,1,0,0,0|2,0,0]=4 39 B16R1.13247 CSCC(C)C(=O)C(C)c1ccccc1Cl 1458a_100000753918_100000181259 [1,0,1,0,0,0|2,0,0]=4 40 B16R1.20764 CCC(C(=O)CCCF)c1ccccc1Cl 1458a_100011667493_100011934791 [1,0,1,0,0,0|2,0,0]=4 41 B16R1.20764 CCC(C(=O)CCCO)c1ccccc1Cl 1458a_100011667493_100011215043 [1,0,1,0,0,0|2,0,0]=4 42 B16R1.20764 CCC(C(=O)CCOC)c1ccccc1Cl 1458a_100011667493_100000233755 [1,0,1,0,0,0|2,0,0]=4 43 B16R1.20764 CCC(C(=O)CCSC)c1ccccc1Cl 1458a_100011667493_100000751147 [1,0,1,0,0,0|2,0,0]=4 44 B16R1.20764 CCCCC(=O)C(CC)c1ccccc1Cl 1458a_100011667493_100000210211 [1,0,1,0,0,0|1,0,0]=3 45 B16R1.20764 CCCCC(=O)C(OC)c1ccccc1C 1458a_100012277922_100000210211 [1,0,1,0,0,0|2,0,0]=4 46 B16R1.20764 CCCCC(=O)C(OC)c1ccccc1F 1458a_100012277919_100000210211 [1,0,1,0,0,0|1,1,0]=4 47 B16R1.20764 CCCNC(=O)C(CC)c1ccccc1Cl 11a_100020643023_100011667493 [1,0,1,0,0,0|2,0,0]=4 48 B16R1.20764 CCCNC(=O)C(CC)c1ccccc1Cl 1626a_100020643023_100011667493 [1,0,1,0,0,0|2,0,0]=4 49 B16R1.20764 CCCNC(=O)C(CC)c1ccccc1Cl 240690a_100020643023_100011667493 [1,0,1,0,0,0|2,0,0]=4 50 B16R1.20764 CCCNC(=O)C(CC)c1ccccc1Cl 527a_100020643023_100011667493 [1,0,1,0,0,0|2,0,0]=4 51 B16R1.2620 CCC(C)C(=O)C(C)(C)c1ccccc1F 1458a_100000748980_100000758301 [1,0,1,0,0,0|1,1,0]=4 52 B16R1.2620 CCC(C)C(=O)C(C)(C)c1cccnc1Cl 1458a_100011017506_100000758301 [1,0,1,0,0,0|2,0,0]=4 53 B18R1.34848 C=CC(O)CNCC(c1ccccc1Cl)N(C)C 2230a_100000185106_100000730141 [0,1,1,0,0,0|2,0,0]=4 54 B18R1.203223 CC(CCO)C(=O)C(c1ccccc1Cl)N(C)C 1458a_100000689846_100009893172 [0,1,1,0,0,0|2,0,0]=4 55 B18R1.203223 CCCC(C)C(=O)C(c1ccccc1C)N(C)C 1458a_200015186453_100000766640 [0,1,1,0,0,0|2,0,0]=4 56 B18R1.203223 CCCC(C)C(=O)C(c1ccccc1Cl)N(C)C 1458a_100000689846_100000766640 [0,1,1,0,0,0|1,0,0]=3 57 B18R1.203223 CCCC(C)C(=O)C(c1ccccc1F)N(C)C 1458a_100011344403_100000766640 [0,1,1,0,0,0|1,1,0]=4 58 B18R1.203223 CCCN(C)C(=O)C(c1ccccc1Cl)N(C)C 240690a_100000747261_100000689846 [0,1,1,0,0,0|2,0,0]=4 59 B18R1.203223 CCCN(C)C(=O)C(c1ccccc1Cl)N(C)C 527a_100000747261_100000689846 [0,1,1,0,0,0|2,0,0]=4 60 B18R1.203223 COCC(C)C(=O)C(c1ccccc1Cl)N(C)C 1458a_100000689846_100000765312 [0,1,1,0,0,0|2,0,0]=4 61 B18R2.2323 CCC(C(=O)C1CCCC1)c2ccccc2Cl 1458a_100011667493_100000179811 [0,0,1,1,0,0|2,0,0]=4 62 B18R2.155174 CCCC(C)C(=O)C1(CC1)c2ccccc2Cl 1458a_100011549969_100000766640 [0,0,1,1,0,0|2,0,0]=4 63 B18R2.903026 CCC(C)C(=O)C1(CCC1)c2ccccc2Cl 1458a_100011549970_100000758301 [0,0,1,1,0,0|2,0,0]=4 64 B18R1.64498 CCCC(C)C(=O)N[C@@H](CC)c1ccccc1Cl 11a_200016987949_100000210906 [0,0,1,0,0,1|2,0,0]=4 65 B18R1.64498 CCCC(C)C(=O)N[C@@H](CC)c1ccccc1Cl 1626a_200016987949_100000210906 [0,0,1,0,0,1|2,0,0]=4 66 B18R1.64498 CCCC(C)C(=O)N[C@@H](CC)c1ccccc1Cl 240690a_200016987949_100000210906 [0,0,1,0,0,1|2,0,0]=4 67 B18R1.64498 CCCC(C)C(=O)N[C@@H](CC)c1ccccc1Cl 527a_200016987949_100000210906 [0,0,1,0,0,1|2,0,0]=4 68 B18R1.64498 CCC[C@H](O)C(=O)NC(CO)c1ccccc1Cl 240690a_100138412506_100009822183 [0,0,1,0,0,1|2,0,0]=4 69 B18R1.64498 CCC[C@H](O)C(=O)N[C@@H](CC)c1ccccc1Cl 240690a_200016987949_100009822183 [0,0,1,0,0,1|1,0,0]=3 70 B18R1.64498 CCC[C@H](O)C(=O)N[C@@H](CC)c1ccccc1F 240690a_100015190424_100009822183 [0,0,1,0,0,1|1,1,0]=4 71 B18R1.197849 CCCC(C)NC(=O)C(CC)c1ccccc1Cl 11a_100000741246_100011667493 [0,0,1,0,0,1|2,0,0]=4 72 B18R1.197849 CCCC(C)NC(=O)C(CC)c1ccccc1Cl 1626a_100000741246_100011667493 [0,0,1,0,0,1|2,0,0]=4 73 B18R1.197849 CCCC(C)NC(=O)C(CC)c1ccccc1Cl 240690a_100000741246_100011667493 [0,0,1,0,0,1|2,0,0]=4 74 B18R1.197849 CCCC(C)NC(=O)C(CC)c1ccccc1Cl 527a_100000741246_100011667493 [0,0,1,0,0,1|2,0,0]=4 75 B18R1.226257 CCCC(C)C(=O)C(CC)Oc1ccccc1Cl 1458a_100000205292_100000766640 [0,0,1,0,0,1|2,0,0]=4 76 B18R1.226257 CCC[C@H](O)C(=O)N(CC)Cc1ccccc1Cl 240690a_100000201176_100009822183 [0,0,1,0,0,1|2,0,0]=4