0 B13R1.337 CC(=O)\C=C\C=C\C1=CC=CC=C1 2917-1-34 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 2721-1-70 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 2721-1-04 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.337 O=C(O)CS\C=C\C1=CC=CC=C1 6966-1-04 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 2921-1-02 [0,0,0,0,0,0|2,0,1]=3 5 B14R1.420 CC(C)=CCOC(=O)C1=CC=CC=C1 2624-1-04 [0,1,0,0,0,0|3,0,0]=4 6 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 2621-1-1Q [0,1,0,0,0,0|2,0,1]=4 7 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 4648-1-1S [0,1,0,0,0,0|3,0,0]=4 8 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 4648-1-5M [0,1,0,0,0,0|3,0,0]=4 9 B14R1.677 CC(=O)OCCOC1=CC=C(Br)C=C1 2623-9-30 [0,1,0,0,0,0|1,0,1]=3 10 B14R1.677 CC(=O)OCCOC1=CC=C(C)C=C1 2723-1-1Z [0,1,0,0,0,0|1,0,1]=3 11 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 2623-1-0P [0,1,0,0,0,0|2,0,1]=4 12 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O 4657-1-SL [0,1,0,0,0,0|2,0,0]=3 13 B14R1.6449 N[C@H](C\C=C\C1=CC=CC=C1)C(=O)O 4657-1-RL [0,1,0,0,0,0|2,0,0]=3 14 B14R2.2 CC(=O)N[C@H]1CCC2=CC=CC=C21 4648-1-S3 [0,0,0,1,0,0|1,0,2]=4 15 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 4H21-1-HX [0,0,0,1,0,0|3,0,0]=4 16 B14R2.21 CC1=CC(C2=CC=CC=C2)=CN=N1 3H32-1-96 [0,0,0,1,0,0|3,0,0]=4 17 B14R2.21 CC1=CN=CC(C2=CC=CC=C2)=C1 3H32-1-MX [0,0,0,1,0,0|3,0,0]=4 18 B14R2.21 CC1=NC(C2=CC=CC=C2)=CC=C1 3H32-1-NA [0,0,0,1,0,0|2,0,1]=4 19 B14R2.21 CC1=NC=CC(C2=CC=CC=C2)=C1 3H32-1-NB [0,0,0,1,0,0|2,0,1]=4 20 B14R2.21 O=C1CC(C2=CC=CC=C2)CCO1 2H25-1-77 [0,0,0,1,0,0|0,0,2]=3 21 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 2617-1-1C [0,0,0,1,0,0|1,0,2]=4 22 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 2617-1-06 [0,0,0,1,0,0|2,0,1]=4 23 B14R2.31359 CC(=O)N1CCCC2=CC=CC=C21 4H48-1-05B [0,0,0,1,0,0|1,0,2]=4 24 B14R2.31359 O=C(Cl)C1=CC=CC2=CC=CC=C21 2616-5-Y3 [0,0,0,1,0,0|2,0,1]=4 25 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 2621-1-50 [0,0,0,1,0,0|2,0,1]=4 26 B12R1.252 CC(=O)NCCC1=CC=CC=C1 4748-1-31 [0,0,0,0,1,0|1,0,1]=3 27 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 4656-1-1A [0,0,0,0,1,0|1,0,1]=3 28 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 4639-1-E0 [0,0,0,0,1,0|2,0,1]=4 29 B12R1.252 NC(=O)COCC1=CC=CC=C1 4H48-1-06L [0,0,0,0,1,0|2,0,1]=4 30 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 2616-5-0L [0,0,0,0,1,0|1,0,2]=4 31 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 2616-5-21 [0,0,0,0,1,0|2,0,1]=4 32 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 2616-5-0K [0,0,0,0,1,0|2,0,1]=4 33 B12R1.252 O=C(O)CCNC1=CC=CC=C1 4631-1-0D [0,0,0,0,1,0|2,0,1]=4 34 B12R1.252 O=C(O)CCSC1=CC=CC=C1 6666-1-04 [0,0,0,0,1,0|2,0,1]=4 35 B12R1.252 O=C(O)CNCC1=CC=CC=C1 4757-1-17 [0,0,0,0,1,0|2,0,1]=4 36 B14R1.422 O=C(O)CCS\C=C\C1=CC=CC=C1 6966-1-05 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.28 O=CCOCC1=CC=CC=C1 2615-1-08 [2,0,0,0,0,0|1,0,1]=4 38 B13R1.42 C=COC(=O)\C=C\C1=CC=CC=C1 2624-1-03 [1,1,0,0,0,0|0,0,2]=4 39 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 2623-1-4Q [0,1,0,0,1,0|1,0,0]=3 40 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 4648-1-4U [0,1,0,0,1,0|1,0,0]=3 41 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 2629-1-0K [0,1,0,0,1,0|0,0,0]=2 42 B13R1.45 CN(C)C\C=C(/Br)C1=CC=CC=C1 3932-9-01 [0,1,0,0,1,0|2,0,0]=4 43 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 6667-1-02 [0,1,0,0,1,0|2,0,0]=4 44 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 2929-1-17 [0,1,0,0,1,0|1,0,1]=4 45 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 2921-3-0B [0,1,0,0,1,0|1,0,0]=3 46 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 4H48-1-035 [0,1,0,0,1,0|1,0,0]=3 47 B13R1.348 CC(=O)OC(C)CC1=CC=CC=C1 2623-1-4U [0,1,0,0,1,0|0,0,1]=3 48 B13R1.348 C\C(=C/C1=CC=CC=C1)CC(N)=O 4648-1-5Y [0,1,0,0,1,0|1,0,0]=3 49 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 2929-1-28 [0,1,0,0,1,0|1,0,1]=4 50 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 4648-1-1R [0,1,0,0,1,0|1,0,1]=4 51 B15R1.871 CC(=O)OCCCOC1=CC=C(Br)C=C1 2623-9-32 [0,1,0,0,0,1|0,0,2]=4 52 B13R1.90 CC(=O)OCC1=CC=CC=C1C#N 4637-1-2G [0,0,1,1,0,0|1,0,1]=4 53 B13R2.1 C=CCC1C=CC2=C1C=CC=C2 1900-1-0D [1,0,0,1,0,0|1,0,1]=4 54 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 3H31-5-77 [1,0,0,1,0,0|1,0,1]=4 55 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 2H10-1-51 [1,0,0,1,0,0|0,0,1]=3 56 B13R2.15 CC1=C(C2=CC=CC=C2)C=CS1 5H66-1-11 [1,0,0,1,0,0|0,1,1]=4 57 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 3H32-1-7Y [1,0,0,1,0,0|2,0,0]=4 58 B13R2.15 NC1=C(C2=CC=CC=C2)C=NO1 4H56-1-626 [1,0,0,1,0,0|2,0,0]=4 59 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 2615-1-28 [1,0,0,1,0,0|1,0,1]=4 60 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 4H15-1-6S [1,0,0,1,0,0|2,0,0]=4 61 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 3H32-1-JA [0,0,0,1,1,0|2,0,0]=4 62 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 7H70-1-68 [0,0,0,1,1,0|1,1,0]=4 63 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 4H44-1-17 [0,0,0,1,1,0|2,0,0]=4 64 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CO1 4H47-5-0E [0,0,0,1,1,0|2,0,0]=4 65 B13R2.10 O=C1NC=C(C2=CC=CC=C2)N1 4H48-1-46 [0,0,0,1,1,0|2,0,0]=4 66 B13R2.10 OC1=NC(C2=CC=CC=C2)=CO1 4H01-1-9P [0,0,0,1,1,0|1,0,1]=4 67 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 4H17-1-66 [0,0,0,1,1,0|1,0,1]=4 68 B13R2.72 CC(=O)C1=COC2=CC=CC=C21 2H10-1-Z2 [0,0,0,1,1,0|1,0,1]=4 69 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 6H17-1-0F [0,0,0,1,1,0|1,0,1]=4 70 B13R2.72 CC(=O)N1C=CC2=CC=CC=C21 4H17-1-39 [0,0,0,1,1,0|1,0,0]=3 71 B13R2.163 O=C1CC2=CC=CC=C2C=CN1 4H17-1-8K [0,0,0,1,1,0|1,0,0]=3 72 B15R2.6 CC(=O)CCC1=CNC2=CC=CC=C12 4H17-1-Z5 [0,0,0,1,0,1|1,0,0]=3 73 B15R2.6 CC(=O)\C=C\C1=CNC2=CC=CC=C12 4H17-1-97 [0,0,0,1,0,1|1,0,1]=4 74 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C21 4H21-1-GC [0,0,0,1,0,1|2,0,0]=4 75 B15R2.63 O=C(O)C1=C(C2=CC=CC=C2)C=NO1 4H58-1-319 [0,0,0,1,0,1|2,0,0]=4 76 B15R2.283 O=C1C=C(NCC2=CC=CC=C2)CO1 4H31-1-0T [0,0,0,1,0,1|0,0,2]=4 77 B15R2.68122 CC(=O)NC1=CC=CC2=CC=CC=C21 4648-1-2L [0,0,0,1,0,1|1,0,1]=4 78 B15R2.377 CC(=O)OC1=CNC2=CC(Cl)=CC=C21 4H56-5-CZ [0,1,0,1,0,0|1,0,1]=4 79 B15R2.1668 CC(=O)OC1=CC2=CC=CC=C2C=C1 2623-1-1Q [0,1,0,1,0,0|0,0,1]=3 80 B15R2.297 O=C1CC(C(=O)C2=CC=CC=C2)CO1 2H25-1-26 [0,1,0,1,0,0|0,0,1]=3 81 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)C1 2629-1-84 [0,1,0,1,0,0|2,0,0]=4 82 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)N1 4H48-1-08R [0,1,0,1,0,0|2,0,0]=4 83 B15R2.14628 CC(=O)C1=C2C=CC=CC2=C(C)C=C1 2717-1-1J [0,1,0,1,0,0|1,0,1]=4 84 B15R2.4 COC(=O)CN1C=CC2=CC=CC=C21 4H23-1-JR [0,1,0,1,0,0|2,0,0]=4 85 B15R2.79765 CNC(=O)C1=CC=CC2=CC=CC=C21 4648-1-2R [0,1,0,1,0,0|1,0,1]=4 86 B15R2.79765 COC(=O)C1=C2C=CC=CC2=CC=C1 2623-1-4T [0,1,0,1,0,0|1,0,1]=4 87 B11R1.91 C=C(C)OCC1=CC=CC=C1 2607-1-1T [0,0,0,0,2,0|1,0,0]=3 88 B11R1.91 CC(=O)C#CC1=CC=CC=C1 2617-1-1J [0,0,0,0,2,0|0,0,2]=4 89 B11R1.91 CC(=O)CSC1=CC=CC=C1 6666-1-X8 [0,0,0,0,2,0|1,0,0]=3 90 B11R1.91 CC(=O)NCC1=CC=CC=C1 4648-1-4F [0,0,0,0,2,0|1,0,0]=3 91 B11R1.91 CC(=O)NCC1=CC=CN=C1 4H48-1-0X [0,0,0,0,2,0|2,0,0]=4 92 B11R1.91 CC(=O)NNC1=CC=CC=C1 4639-1-03 [0,0,0,0,2,0|2,0,0]=4 93 B11R1.91 CC(=O)OCC1=CC=CC=C1 2623-1-4E [0,0,0,0,2,0|0,0,0]=2 94 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2617-1-0Z [0,0,0,0,2,0|0,0,0]=2 95 B11R1.91 CC(=O)\C=C\C1=CC=C[NH+]=C1 4H33-5-15 [0,0,0,0,2,0|1,0,0]=3 96 B11R1.91 NC(=O)CCC1=CC=CC=C1 4648-1-2Y [0,0,0,0,2,0|1,0,1]=4 97 B11R1.91 NC(=O)CSC1=CC=CC=C1 8666-1-0K [0,0,0,0,2,0|2,0,0]=4 98 B11R1.91 NC(=O)NCC1=CC=CC=C1 4653-1-07 [0,0,0,0,2,0|2,0,0]=4 99 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 2616-5-0J [0,0,0,0,2,0|1,0,0]=3 100 B11R1.91 O=C(O)CNC1=CC=CC=C1 4657-1-0D [0,0,0,0,2,0|2,0,0]=4 101 B11R1.91 O=C(O)CSC1=CC=CC=C1 6666-1-1S [0,0,0,0,2,0|2,0,0]=4 102 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 2921-1-X0 [0,0,0,0,2,0|1,0,0]=3 103 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 4954-1-79 [0,0,0,0,2,0|2,0,0]=4