0 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 D97314 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 50047 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 C76122 [0,0,0,0,0,0|1,0,2]=3 3 B13R1.337 O=C(Cl)CCOCC1=CC=CC=C1 C11140 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 78486 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 AT23512 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.420 C=C(CCCC(=O)O)C1=CC=CC=C1 D94335 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 A10971 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.677 O=C(O)CC\C=C\C1=CC=C(F)C=C1 71739 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.818 CC(=O)CC(=O)\C=C\C1=CC=CC=C1 30085 [0,1,0,0,0,0|1,0,1]=3 10 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O A50121 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.2 CC(=O)O[C@H]1CCC2=CC=CN=C21 N12355 [0,0,0,1,0,0|1,0,2]=4 12 B14R2.21 O=C1C=CC=C(C2=CC=CC=C2)N1 C15188 [0,0,0,1,0,0|2,0,1]=4 13 B14R2.21 O=C1CCO[C@H](C2=CC=CC=C2)C1 25492 [0,0,0,1,0,0|2,0,1]=4 14 B14R2.31359 CC(=O)C1=CC=CC2=CC=CN=C21 92488 [0,0,0,1,0,0|2,0,1]=4 15 B14R2.31359 CC(=O)C1=CC=CC2=CC=NC=C21 78510 [0,0,0,1,0,0|2,0,1]=4 16 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,0,0,0,1,0|1,0,2]=4 17 B13R1.45 NC(=O)OC[C@H](O)C1=CC=CC=C1 D93074 [0,1,0,0,1,0|1,0,1]=4 18 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 D81437 [0,1,0,0,1,0|2,0,0]=4 19 B13R1.149 CC(=O)NCCC1=CC(O)=CC=C1 F19957 [0,1,0,0,1,0|1,0,1]=4 20 B13R1.149 O=C(O)C\C=C\C1=CC=CC(F)=C1 21126 [0,1,0,0,1,0|1,0,0]=3 21 B13R1.158 CC(=O)NCCC1=C(Br)C=CC=C1 W16283 [0,1,0,0,1,0|1,0,1]=4 22 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,1,0,0,1,0|0,0,1]=3 23 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [0,1,0,0,1,0|1,0,1]=4 24 B15R1.111 CC(=O)OCC(=O)CC1=CC=C(Cl)C=C1 C13053 [0,2,0,0,0,0|0,0,1]=3 25 B13R1.90 CC(=O)OCC1=C(C#N)C=CC=C1 C74978 [0,0,1,1,0,0|1,0,1]=4 26 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 F14663 [0,0,0,1,1,0|2,0,0]=4 27 B13R2.10 CC1=NC=C(C2=CC=CC=C2)O1 63684 [0,0,0,1,1,0|1,0,1]=4 28 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 78069 [0,0,0,1,1,0|2,0,0]=4 29 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 C71062 [0,0,0,1,1,0|2,0,0]=4 30 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,0,0,1,1,0|0,0,2]=4 31 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,0,0,1,1,0|0,0,2]=4 32 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [0,0,0,1,1,0|0,0,2]=4 33 B13R2.72 CC(=O)N1C=CC2=C1C=CC=C2 62716 [0,0,0,1,1,0|1,0,0]=3 34 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,1,1,0|1,0,1]=4 35 B15R2.6 CC(=O)CCN1C=NC2=C1C=CC=C2 D86202 [0,0,0,1,0,1|2,0,0]=4 36 B15R2.377 CC(=O)OC1=CNC2=C1C=CC(Br)=C2 F11856 [0,1,0,1,0,0|1,0,1]=4 37 B15R2.1660 CC(=O)CCC1=NC2=C(C=CC=C2)N1 F53154 [0,1,0,1,0,0|2,0,0]=4 38 B15R2.59 CC(=O)C1=NC(C2=CC=CC=C2)=CS1 F50467 [0,1,0,1,0,0|2,0,0]=4 39 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)C1 37957 [0,1,0,1,0,0|2,0,0]=4 40 B15R2.14628 CC(=O)C1=CC=C(O)C2=CC=CC=C12 W17451 [0,1,0,1,0,0|1,0,1]=4 41 B15R2.14628 CC(=O)N1CCC(=O)C2=C1C=CC=C2 Y13463 [0,1,0,1,0,0|1,0,1]=4 42 B15R2.53147 CC(=O)O[IH2]1OC(=O)C2=C1C=CC=C2 S11196 [0,1,0,1,0,0|2,0,0]=4 43 B15R2.79765 CCC(=O)C1=CC=CC2=CC=CC=C21 N12700 [0,1,0,1,0,0|1,0,1]=4 44 B15R2.79765 COC(=O)C1=NC=CC2=CC=CC=C21 61401 [0,1,0,1,0,0|2,0,0]=4 45 B15R2.79765 COC(=O)C1=NC=CC2=CC=CC=C21 79360 [0,1,0,1,0,0|2,0,0]=4 46 B15R2.79765 O=C(CBr)C1=CC=CC2=CC=CC=C21 20768 [0,1,0,1,0,0|1,0,1]=4 47 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,2,0|0,0,2]=4 48 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,2,0|2,0,0]=4 49 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,2,0|1,0,1]=4