0 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 OR52412 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 OR9775 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 OR315220 [1,0,0,0,0,0|0,0,2]=3 3 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 OR30622 [1,0,0,0,0,0|1,0,2]=4 4 B12R1.27 COC(=O)CCC1=CC=CC=C1 OR30978 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.27 NNC(=O)OCC1=CC=CC=C1 OR7846 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 OR10827 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 OR4110 [1,0,0,0,0,0|2,0,0]=3 8 B14R1.756 COC(=O)C(=O)CCC1=CC=CC=C1 OR1986 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 OR27916 [0,0,0,0,1,0|2,0,0]=3 10 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 OR52463 [0,0,0,0,1,0|2,0,0]=3 11 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 OR54477 [0,0,0,0,0,1|2,0,1]=4 12 B11R1.28 NCCOCC1=CC=CC=C1 OR14357 [2,0,0,0,0,0|1,0,1]=4 13 B11R1.28 NCCOCC1=CC=CC=C1 OR51851 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.91 CC(=O)CSC1=CC=CC=C1 OR8634 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.91 NC(=O)OCC1=CC=CC=C1 OR40596 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 OR28743 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.91 O=C(O)CCC1=CC=CC=C1 OR10046 [2,0,0,0,0,0|2,0,0]=4 18 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 OR17914 [1,1,0,0,0,0|1,0,0]=3 19 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 OR346330 [1,1,0,0,0,0|2,0,0]=4 20 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 OR14083 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 OR2049 [1,1,0,0,0,0|0,0,1]=3 22 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 OR471312 [1,1,0,0,0,0|2,0,0]=4 23 B13R1.718 CC(CO)COCC1=CC=CC=C1 OR8171 [1,1,0,0,0,0|0,0,1]=3 24 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR307134 [1,1,0,0,0,0|1,0,1]=4 25 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR40516 [1,1,0,0,0,0|1,0,1]=4 26 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR307133 [1,1,0,0,0,0|1,0,1]=4 27 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR40517 [1,1,0,0,0,0|1,0,1]=4 28 B13R1.718 OCC(O)COCC1=CC=CC=C1 OR7701T [1,1,0,0,0,0|1,0,1]=4 29 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 OR315177 [1,1,0,0,0,0|1,0,1]=4 30 B13R1.133 CN(C)C(=O)CC1=CC=C(O)C=C1 OR10858 [0,1,0,0,1,0|1,0,0]=3 31 B15R1.894 CC(C)(C)C(=O)\C=C\C1=CC=C(Cl)C=C1 OR28324 [0,2,0,0,0,0|1,0,1]=4 32 B15R1.348 CC(C)(CCl)C(=O)NCC1=CC=CC=C1 OR21635 [0,2,0,0,0,0|1,0,0]=3 33 B15R1.826 COC[C@@H](N)C(=O)NCC1=CC=CC=C1 OR54481 [0,2,0,0,0,0|2,0,0]=4 34 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 OR41147 [1,0,0,1,0,0|2,0,0]=4 35 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 OR8745 [1,0,0,1,0,0|2,0,0]=4 36 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 OR8746 [1,0,0,1,0,0|2,0,0]=4 37 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 OR315270 [1,0,0,1,0,0|1,0,1]=4 38 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O OR110335 [0,0,0,1,1,0|2,0,0]=4 39 B13R2.369 O=C1CC2=CC=CC=C2OC1=O OR9103 [0,0,0,1,1,0|1,0,1]=4 40 B13R2.435 CC(C)C1=NC2=C(C=CC=C2)N1 OR3278 [0,0,0,1,1,0|2,0,0]=4 41 B15R2.327 CC1(C)OC(=O)N[C@@H]1C2=CC=CC=C2 OR40633 [0,0,0,1,0,1|1,0,0]=3 42 B11R1.40 CNC(=O)CC1=CC=CC=C1 OR16469 [1,0,0,0,1,0|1,0,0]=3 43 B11R1.40 NNC(=O)CC1=CC=CC=C1 OR310651 [1,0,0,0,1,0|2,0,0]=4 44 B11R1.40 NNC(=O)OC1=CC=CC=C1 OR311140 [1,0,0,0,1,0|2,0,0]=4 45 B11R1.40 O=C(CCl)NC1=CC=CC=C1 OR3397 [1,0,0,0,1,0|2,0,0]=4 46 B11R1.40 O=C(NO)OC1=CC=CC=C1 OR310437 [1,0,0,0,1,0|2,0,0]=4 47 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 OR907023 [0,0,0,0,2,0|1,0,0]=3