0 B11R1.28 N#CCOCC1=CC=CC=C1 4637-1-1L [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 OCCC#CC1=CC=CC=N1 4H56-1-0G7 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.28 OCCCCC1=CC=CC=N1 4H01-1-B5 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 CCCCC1=CC=NC=C1 3H32-1-JJ [1,0,0,0,0,0|2,0,0]=3 4 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [1,0,0,0,0,0|2,0,0]=3 5 B12R1.1 CCCCNC1=NC=C(Cl)C=N1 3H31-5-B2 [0,1,0,0,0,0|2,0,0]=3 6 B12R1.1 CCCCOC1=CC=C(Cl)C=C1 2607-5-2L [0,1,0,0,0,0|2,0,0]=3 7 B12R1.1 CCCCSC1=CC=C(O)C=C1 6666-1-1C [0,1,0,0,0,0|2,0,0]=3 8 B12R1.1 CCOCSC1=CC=C(O)C=C1 6666-1-0S [0,1,0,0,0,0|3,0,0]=4 9 B12R1.1 COCCNC1=NC=C(Cl)C=N1 4H31-5-0J [0,1,0,0,0,0|3,0,0]=4 10 B12R1.1 COCCOC1=CC=C(Cl)C=C1 2608-5-0F [0,1,0,0,0,0|3,0,0]=4 11 B12R1.1 COCCOC1=NC=C(Cl)C=C1 4H08-5-0B [0,1,0,0,0,0|2,0,0]=3 12 B12R1.1 ClCCOCC1=CC=C(Cl)C=C1 2607-5-0Z [0,1,0,0,0,0|3,0,0]=4 13 B12R1.1 NCCCCC1=CC=C(F)C=C1 3730-3-46 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.1 OCCCOC1=CC=C(F)C=C1 2621-3-6J [0,1,0,0,0,0|3,0,0]=4 15 B12R1.8 CCCNCCC1=NC=CC=C1 3H31-1-D3 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.27 COC(=O)CCC1=CC=CC=N1 4H58-1-466 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 4656-1-SV [0,1,0,0,0,0|3,0,0]=4 18 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 2607-1-S1 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.28 CCCCOC1=CC(Cl)=CC=C1 2607-5-2M [0,1,0,0,0,0|2,0,0]=3 20 B12R1.28 CCCCSC1=CC(O)=CC=C1 6666-1-1M [0,1,0,0,0,0|2,0,0]=3 21 B12R1.28 COCCOC1=CC(Cl)=CC=C1 2608-5-0H [0,1,0,0,0,0|3,0,0]=4 22 B12R1.28 COCCOC1=CC(O)=CC=C1 2608-1-0Y [0,1,0,0,0,0|3,0,0]=4 23 B12R1.28 OCCOCC1=CC=CC(Cl)=C1 2607-5-0X [0,1,0,0,0,0|3,0,0]=4 24 B12R1.30 NCCCC(N)C1=CC=CN=C1 3H30-1-1T [0,1,0,0,0,0|3,0,0]=4 25 B12R1.30 NCCCC(N)C1=CC=NC=C1 3H30-1-1U [0,1,0,0,0,0|3,0,0]=4 26 B12R1.267 CCCCOC1=C(Cl)C=CC=N1 4H07-5-3F [0,1,0,0,0,0|1,0,0]=2 27 B12R1.267 NCCCCC1=CC=CC=C1F 3730-7-16 [0,1,0,0,0,0|2,0,0]=3 28 B12R2.1 NCC1CNC2=CC=CC=C21 3H30-1-HV [0,0,0,1,0,0|3,0,0]=4 29 B12R2.1 OCC1CCC2=CC=CC=C21 2601-1-12 [0,0,0,1,0,0|2,0,0]=3 30 B12R2.2 C1=CC=C(C2CCCO2)C=C1 2H10-1-82 [0,0,0,1,0,0|2,0,0]=3 31 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 3H31-1-SG [0,0,0,1,0,0|2,0,0]=3 32 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 3H31-5-RF [0,0,0,1,0,0|2,0,0]=3 33 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 3H31-1-RF [0,0,0,1,0,0|2,0,0]=3 34 B12R2.41 C1=CC2=C(C=C1)NCCCN2 3H31-1-59 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.1081 CC1=NCCC2=C1C=CC=C2 3H32-1-NK [0,0,0,1,0,0|2,0,1]=4 36 B12R2.1081 NC1COCC2=CC=CC=C21 4H56-1-814 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 3H33-5-R1 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 3H31-1-9Z [0,0,0,1,0,0|3,0,0]=4 39 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 3H31-5-4X [0,0,0,1,0,0|2,0,0]=3 40 B12R2.2058 C1=CC=C(NC2COC2)C=C1 4H31-1-2C [0,0,0,1,0,0|3,0,0]=4 41 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4H56-5-DT [0,0,0,1,0,0|3,0,0]=4 42 B11R1.1 CCCNC1=NC=C(Cl)C=N1 3H31-5-B7 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.1 CCCOC1=CC=C(Cl)C=C1 2607-5-25 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.1 CCCOC1=NC=C(Cl)C=C1 4H07-5-2N [1,1,0,0,0,0|1,0,0]=3 45 B11R1.1 CCCSC1=CC=C(O)C=C1 6666-1-0W [1,1,0,0,0,0|2,0,0]=4 46 B11R1.16 CC(CCN)C1=CC=CC=C1 3630-1-26 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.16 CCCC(N)C1=CC=NC=C1 3H30-1-VE [1,1,0,0,0,0|2,0,0]=4 48 B11R1.17 CCCCC1=NC=CN=C1C 3H32-1-JF [1,1,0,0,0,0|1,0,0]=3 49 B11R1.17 CCCOC1=CC=CC=C1N 4656-1-5B [1,1,0,0,0,0|2,0,0]=4 50 B11R1.17 CCCOC1=NC=CC=C1N 4H30-1-BX [1,1,0,0,0,0|1,0,0]=3 51 B11R1.17 CCCOC1=NC=CC=C1O 4H07-1-5N [1,1,0,0,0,0|1,0,0]=3 52 B11R1.17 CCNCC1=C(O)C=CC=C1 4631-1-19 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.24 CCCOC1=CC(Cl)=CC=C1 2607-5-2C [1,1,0,0,0,0|2,0,0]=4 54 B11R1.24 CCCOC1=CC(O)=CC=C1 2607-1-2C [1,1,0,0,0,0|2,0,0]=4 55 B11R1.24 CCCSC1=CC(O)=CC=C1 6666-1-1G [1,1,0,0,0,0|2,0,0]=4 56 B11R1.24 CCNCC1=CC=CC(F)=C1 3H31-3-0R [1,1,0,0,0,0|2,0,0]=4 57 B11R1.91 CC(C)COC1=CC=CC=N1 4H07-1-5Z [1,1,0,0,0,0|1,0,0]=3 58 B11R1.91 NC(=O)CCC1=CC=CC=N1 4H48-1-VK [1,1,0,0,0,0|1,0,1]=4 59 B13R1.19 CCOC(=O)CC1=CC=C(N)C=N1 4H58-1-TY [0,2,0,0,0,0|1,0,1]=4 60 B13R1.6 CCCCCOC1=CC(O)=CC=C1 2607-1-2J [0,2,0,0,0,0|1,0,0]=3 61 B13R1.555 CCCCNCC1=C(O)C=CC=C1 4631-1-1C [0,2,0,0,0,0|1,0,0]=3 62 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 4756-1-0G [0,2,0,0,0,0|2,0,0]=4 63 B13R1.18 CCNCC(O)C1=CC=CC(O)=C1 4656-5-0S [0,2,0,0,0,0|2,0,0]=4 64 B13R1.656 CCCCOC1=CC(F)=CC=C1N 4H30-3-0U [0,2,0,0,0,0|2,0,0]=4 65 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 3632-5-S0 [0,2,0,0,0,0|2,0,0]=4 66 B13R1.8919 CCCNCC1=C(Cl)C=CC=C1O 4631-5-09 [0,2,0,0,0,0|2,0,0]=4 67 B11R2.1 NC1COC2=NC=CC=C21 4H30-1-CV [1,0,0,1,0,0|2,0,0]=4 68 B11R2.1 O=C1CCC2=NC=CC=C12 4H17-1-3K [1,0,0,1,0,0|1,0,1]=4 69 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3630-5-34 [1,0,0,1,0,0|2,0,0]=4 70 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3632-5-07 [1,0,0,1,0,0|2,0,0]=4 71 B11R2.239 C1=CC=C(C2CNC2)N=C1 3H31-5-3Q [1,0,0,1,0,0|1,0,0]=3 72 B11R2.988 NCC1CC2=CC=CC=C21 3630-1-0F [1,0,0,1,0,0|2,0,0]=4 73 B11R2.2 C1=CN(C2CCCC2)C=N1 3H32-1-FP [0,0,0,1,1,0|2,0,0]=4 74 B11R2.2 C1=CN(C2CCNC2)N=C1 3H31-5-4T [0,0,0,1,1,0|2,0,0]=4 75 B13R2.12 BrC1=CC=C(C2CCCO2)C=C1 2H07-9-00 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.12 FC1=CC=C(C2CCNC2)C=C1 3H31-3-Y8 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.12 FC1=CC=C([C@@H]2CCNC2)C=C1 3H31-3-S3 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.12 FC1=CC=C([C@H]2CCNC2)C=C1 3H31-3-R3 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.162 CN1CCCC2=CC=C(N)C=C21 3H33-5-0M [0,1,0,1,0,0|2,0,0]=4 80 B13R2.527 ClC1=CC=C(OCC2CC2)C=C1 2607-5-2A [0,1,0,1,0,0|2,0,0]=4 81 B13R2.527 ClC1=CN=C(OCC2CC2)C=C1 4H07-5-2U [0,1,0,1,0,0|1,0,0]=3 82 B13R2.527 FC1=CC=C(CNC2CC2)C=C1 3631-3-12 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.527 OC1=CC=C(OCC2CC2)C=C1 2607-1-2A [0,1,0,1,0,0|2,0,0]=4 84 B13R2.527 OC1=CC=C(SCC2CC2)C=C1 6666-1-0T [0,1,0,1,0,0|2,0,0]=4 85 B13R2.1069 NC1=CC=C(OC2COC2)N=C1 4H56-1-812 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 4H56-5-RG [0,1,0,1,0,0|2,0,0]=4 87 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 4H56-5-SG [0,1,0,1,0,0|2,0,0]=4 88 B13R2.3 C1=CN=C(C2CCCCN2)C=C1 3H31-5-8W [0,1,0,1,0,0|0,0,0]=2 89 B13R2.3 C1=CN=C(C2CCCNC2)C=C1 3H31-5-8U [0,1,0,1,0,0|0,0,0]=2 90 B13R2.3 C1=CN=C(C2CCCNC2)C=N1 3H31-5-8V [0,1,0,1,0,0|1,0,0]=3 91 B13R2.3 C1=CN=C(C2CCNCC2)C=N1 3H31-5-8T [0,1,0,1,0,0|1,0,0]=3 92 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 3H31-5-SJ [0,1,0,1,0,0|0,0,0]=2 93 B13R2.3 C1=CN=CC(C2CCCNC2)=C1 3H31-5-8G [0,1,0,1,0,0|2,0,0]=4 94 B13R2.3 C1=NC=C(N2CCOCC2)N=C1 4H56-1-0GB [0,1,0,1,0,0|2,0,0]=4 95 B13R2.15 O[C@@H]1CNCC1C2=CC=CC=C2 4H22-1-58 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.64 C1=CN=C(OC2CCCC2)C=C1 4H07-1-6H [0,1,0,1,0,0|0,0,0]=2 97 B13R2.1613 NCC1CCCC2=CC=CC=C21 4H22-1-0D [0,1,0,1,0,0|1,0,0]=3 98 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 3630-5-24 [0,1,0,1,0,0|1,0,0]=3 99 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 3631-1-14 [0,1,0,1,0,0|1,0,0]=3 100 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 4H56-5-DQ [0,1,0,1,0,0|2,0,0]=4 101 B13R2.13 FC1=NC(N2CCCC2)=CC=C1 3H32-3-C7 [0,1,0,1,0,0|1,0,0]=3 102 B13R2.5179 NC1CCCC2=CC(F)=CC=C21 3730-7-11 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.5179 NC1CCCC2=CC(F)=CC=C21 3H30-3-94 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.5179 N[C@@H]1CCCC2=CC(F)=CC=C21 3730-7-R1 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.5179 N[C@@H]1CCCC2=CC(F)=CC=C21 3H30-3-0B [0,1,0,1,0,0|2,0,0]=4 106 B13R2.5179 N[C@H]1CCCC2=CC(F)=CC=C21 3730-7-S1 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.5179 N[C@H]1CCCC2=CC(F)=CC=C21 3H30-3-S2 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.5331 ClC1=CC=CC(OCC2CC2)=C1 2607-5-2F [0,1,0,1,0,0|2,0,0]=4 109 B13R2.5331 OC1=CC(OCC2CC2)=CC=C1 2607-1-2L [0,1,0,1,0,0|2,0,0]=4 110 B13R2.5331 OC1=CC(SCC2CC2)=CC=C1 6666-1-1E [0,1,0,1,0,0|2,0,0]=4 111 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 3630-5-S0 [0,1,0,1,0,0|1,0,0]=3 112 B13R2.18 CC1=CC=CC=C1C2CCCN2 3H31-1-48 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.342 NC1CCCC2=C(F)C=CC=C21 3630-3-0P [0,1,0,1,0,0|2,0,0]=4 114 B13R2.3587 ClC1=CC=CC=C1OCC2CC2 2607-5-2J [0,1,0,1,0,0|2,0,0]=4 115 B13R2.3587 OC1=C(OCC2CC2)C=CC=C1 2607-1-2V [0,1,0,1,0,0|2,0,0]=4 116 B9R1.12 ClCCCN1C=CC=N1 3H32-5-VH [1,0,0,0,1,0|2,0,0]=4