0 B12R1.16 CCNC(=O)C1=CC=C(Cl)C=C1 4648-5-2M [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCNC(=O)C1=CC=C(O)C=C1 4648-1-3X [0,0,0,0,0,0|2,0,0]=2 2 B12R1.16 CCOC(=O)C1=CN=C(O)N=C1 4H23-1-FA [0,0,0,0,0,0|3,0,0]=3 3 B12R1.16 CN(CCO)C1=CC=C(N)C=C1 4H32-1-31 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.16 CONC(=O)C1=CC=C(Cl)C=C1 4648-5-2L [0,0,0,0,0,0|3,0,0]=3 5 B12R1.16 CONC(=O)C1=CC=C(O)C=C1 4648-1-5H [0,0,0,0,0,0|3,0,0]=3 6 B11R1.1 CCCOC1=CC=C(Cl)C=C1 2607-5-25 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.1 CCCSC1=CC=C(O)C=C1 6666-1-0W [1,0,0,0,0,0|3,0,0]=4 8 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 4756-5-16 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 4648-5-0U [1,0,0,0,0,0|2,0,0]=3 10 B11R1.22 COC(=O)C1=NC=C(N)C=N1 4H58-1-VS [1,0,0,0,0,0|2,0,0]=3 11 B11R1.22 O=C(CCl)C1=CC=C(F)C=N1 4H17-7-0M [1,0,0,0,0,0|3,0,0]=4 12 B13R1.17 CCCNC(=O)C1=CC=C(Cl)C=C1 4648-5-2P [0,1,0,0,0,0|2,0,0]=3 13 B13R1.17 O=C(CCCBr)C1=CC=C(Cl)C=C1 2617-D-13 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.17 O=C(CCCBr)C1=CC=C(F)C=C1 2617-B-76 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.17 O=C(NCCO)C1=CC=C(Cl)C=C1 4648-5-2Q [0,1,0,0,0,0|2,0,0]=3 16 B13R1.21 CON(C)C(=O)C1=CC=C(O)C=C1 4648-1-5G [0,1,0,0,0,0|3,0,0]=4 17 B13R1.29 CC1=CC=C(S(=O)(=O)OCF)C=C1 6764-3-00 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 2618-3-00 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.452 CCCC(=O)C1=CC=C(C#N)C=C1 4637-1-4M [0,1,0,0,0,0|1,0,1]=3 20 B13R1.452 CCOC(=O)C1=CC=C(C#N)C=N1 4H37-1-2B [0,1,0,0,0,0|1,0,1]=3 21 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 2623-1-2D [0,1,0,0,0,0|1,0,0]=2 22 B13R1.452 CCOC(=O)C1=CC=C(NC)N=N1 4H58-1-512 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.452 CCOC(=O)C1=CN=C(C#N)N=C1 4H37-1-3J [0,1,0,0,0,0|2,0,1]=4 24 B13R1.452 CCOC(=O)C1=CN=C(CC)N=C1 4H23-1-KP [0,1,0,0,0,0|3,0,0]=4 25 B13R1.466 CCOC(=O)C1=CC=C(Br)C(C)=N1 4H58-9-4M [0,1,0,0,0,0|2,0,0]=3 26 B13R1.466 CCOC(=O)C1=CN=C(Cl)C(C)=C1 4H58-5-AL [0,1,0,0,0,0|2,0,0]=3 27 B13R1.1511 CCNC(=O)C1=C(Cl)C=C(O)C=C1 4648-5-3J [0,1,0,0,0,0|2,0,0]=3 28 B13R1.1511 CCOC(=O)C1=CC=C(C)C=C1F 2723-3-0P [0,1,0,0,0,0|1,0,0]=2 29 B13R1.1511 CCOC(=O)C1=CC=C(O)C=C1F 2623-3-2W [0,1,0,0,0,0|1,0,0]=2 30 B13R2.12 BrC1=CC=C(C2CCCO2)C=C1 2H07-9-00 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.12 ClC1=CC=C(C2=NCCC2)C=C1 3H32-5-TT [0,0,0,1,0,0|3,0,0]=4 32 B13R2.12 NC1=CC=C(C2=NCCN2)C=C1 3H30-1-2U [0,0,0,1,0,0|2,0,0]=3 33 B13R2.12 OC1=CC=C(C2=CCCC2)C=C1 2601-1-0S [0,0,0,1,0,0|3,0,0]=4 34 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 4H56-1-9K [0,0,0,1,0,0|1,0,2]=4 35 B13R2.5179 NC1=CC=C2C(=O)NCCC2=C1 4H30-1-7T [0,0,0,1,0,0|1,0,0]=2 36 B11R1.15 CCOC(=O)C1=CC(C)=NO1 4H58-1-XY [0,0,0,0,1,0|3,0,0]=4 37 B11R1.15 CCOC(=O)C1=CC=C(O)S1 6H23-1-0S [0,0,0,0,1,0|2,0,0]=3 38 B11R1.15 CCOC(=O)C1=COC(C)=N1 4H23-1-7C [0,0,0,0,1,0|3,0,0]=4 39 B11R1.15 CCOC(=O)C1=CSC(F)=N1 8H70-3-16 [0,0,0,0,1,0|3,0,0]=4 40 B13R1.19 CCNC(=O)NC1=CC=C(Cl)C=C1 4653-5-0G [0,0,0,0,0,1|2,0,0]=3 41 B13R1.19 CCOC(=O)CC1=CC=C(N)C=N1 4H58-1-TY [0,0,0,0,0,1|1,0,0]=2 42 B10R1.1 CCCC1=CC=C(F)C=C1 1700-3-14 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.1 CCOC1=CC=C(N)N=C1 4H30-1-AC [2,0,0,0,0,0|1,0,0]=3 44 B10R1.1 CCOC1=CC=C(O)C=N1 4H07-1-4T [2,0,0,0,0,0|2,0,0]=4 45 B10R1.1 CCOC1=NC=C(Cl)C=C1 4H07-5-2R [2,0,0,0,0,0|2,0,0]=4 46 B10R1.1 CCSC1=CC=C(O)C=C1 6666-1-0Z [2,0,0,0,0,0|1,1,0]=4 47 B10R1.1 COCC1=CC=C(Cl)C=C1 2607-5-29 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [2,0,0,0,0,0|0,0,1]=3 49 B10R1.15 C=C(CBr)C1=CC=CC=C1 1900-9-0J [2,0,0,0,0,0|2,0,0]=4 50 B10R1.15 C=CC(=O)C1=CC=CC=C1 2617-1-0U [2,0,0,0,0,0|0,0,2]=4 51 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 2602-1-R4 [2,0,0,0,0,0|0,0,2]=4 52 B10R1.15 O=C(CCl)C1=CC=NC=C1 4H33-5-0L [2,0,0,0,0,0|2,0,0]=4 53 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 6665-5-03 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.13 N=C(N)C1=CC=C(N)C=C1 3641-5-03 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.13 NC1=CC=C(B(O)O)C=C1 8660-1-62 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.13 NC1=CC=C(C(=O)Cl)C=C1 4630-5-0B [2,0,0,0,0,0|1,0,0]=3 57 B12R1.1 CCOCSC1=CC=C(O)C=C1 6666-1-0S [1,1,0,0,0,0|1,0,1]=4 58 B12R1.1 ClCCOCC1=CC=C(Cl)C=C1 2607-5-0Z [1,1,0,0,0,0|1,0,1]=4 59 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 2602-9-03 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.17 CCNC(=O)C1=CC(Cl)=CC=C1 4648-5-2Z [1,1,0,0,0,0|1,0,0]=3 61 B12R1.17 CCOC(=O)C1=CC(=O)N=CN1 4H58-1-XW [1,1,0,0,0,0|2,0,0]=4 62 B12R1.30 NCCNC(=O)C1=CC=CC=C1 4648-5-74 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 4636-1-Z8 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.308 C=COC(=O)C1=C(Cl)C=CC=C1 2624-5-02 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 4648-1-3Y [1,1,0,0,0,0|1,0,0]=3 66 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 2717-5-0B [1,1,0,0,0,0|2,0,0]=4 67 B12R1.5 O=C(CBr)C1=CC=C(CF)C=C1 2717-B-0B [1,1,0,0,0,0|2,0,0]=4 68 B12R1.9 CCS(=O)(=O)C1=CC=C(O)C=C1 6663-1-0H [1,1,0,0,0,0|2,0,0]=4 69 B12R1.12 COC(OC)C1=CC=C(N)C=C1 4656-1-7D [1,1,0,0,0,0|0,0,2]=4 70 B12R1.367 CCC(=O)C1=CC=C(Cl)C(O)=C1 2617-5-1C [1,1,0,0,0,0|1,0,0]=3 71 B12R1.367 COC(=O)C1=CN=C(O)C(C)=C1 4H58-1-337 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.367 NCC(=O)C1=CC=C(F)C(F)=C1 4656-7-04 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.1703 CNC(=O)C1=C(Br)C=C(F)C=C1 4648-B-38 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.1703 CNC(=O)C1=C(F)C=C(Cl)C=C1 4648-7-0H [1,1,0,0,0,0|2,0,0]=4 75 B12R1.1703 CNC(=O)C1=CC=C(O)C=C1Cl 4648-5-3M [1,1,0,0,0,0|2,0,0]=4 76 B12R1.1703 CNC(=O)C1=CC=C(O)C=C1F 4648-3-2V [1,1,0,0,0,0|2,0,0]=4 77 B12R1.1703 COC(=O)C1=C(F)C=C(C)C=C1 2723-3-0C [1,1,0,0,0,0|1,0,0]=3 78 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=N1 4H30-3-1R [1,1,0,0,0,0|1,0,0]=3 79 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Br 2629-9-29 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1O 4H29-5-49 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.1703 O=C(CCl)C1=CC=C(F)C=C1O 2617-7-59 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.103 CC(C)OC(=O)C1=CC=C(Br)S1 6H66-9-05 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.312 CCOC(=O)C1=CC=C(C=O)N1 4H23-1-GJ [0,1,0,0,1,0|2,0,0]=4 84 B12R1.312 CCOC(=O)C1=CC=C(OC)S1 6H66-1-0M [0,1,0,0,1,0|2,0,0]=4 85 B12R1.313 CCOC(=O)C1=NC(N)=CN1C 4H58-5-8U [0,1,0,0,1,0|2,0,0]=4 86 B14R1.19 N#CCCNC(=O)C1=CC=C(O)C=C1 4648-1-4W [0,2,0,0,0,0|2,0,0]=4 87 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Cl)C=C1 2617-5-0M [0,2,0,0,0,0|2,0,0]=4 88 B14R1.941 C=CCOC(=O)C1=CC=C(N)C(F)=C1 4H30-3-0T [0,2,0,0,0,0|0,0,1]=3 89 B14R1.88 CCN(CC)C(=O)C1=CC=C(O)C=C1 4648-1-4N [0,2,0,0,0,0|2,0,0]=4 90 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(F)C=N1 4H23-3-2L [0,2,0,0,0,0|2,0,0]=4 91 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(F)C=C1 4H23-3-2Q [0,2,0,0,0,0|2,0,0]=4 92 B14R1.25 CCNC1=CC=C(C(=O)OCC)N=N1 4H58-1-510 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.25 CCOC(=O)C1=CC=C(NC=O)C=C1 4648-1-2T [0,2,0,0,0,0|0,0,0]=2 94 B14R1.610 CCOC(=O)C1=CC=C(C(C)=O)C=N1 4H58-1-034 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.628 CCOC(=O)C1=CC(O)=C(OC)C=C1 2623-1-3Z [0,2,0,0,0,0|1,0,0]=3 96 B14R1.7234 CCOC(=O)C1=NC=C(C#N)C=C1Cl 4H37-5-X5 [0,2,0,0,0,0|1,0,1]=4 97 B14R1.7265 CCOC(=O)C1=CC=C(F)C(F)=C1Cl 2623-7-19 [0,2,0,0,0,0|1,0,0]=3 98 B14R1.7265 CCOC(=O)C1=CC=C(F)C(N)=C1N 4630-3-1S [0,2,0,0,0,0|1,0,0]=3 99 B14R1.7265 CCOC(=O)C1=CN=C(Cl)C(Br)=C1Cl 4H23-D-09 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.7233 CCOC(=O)C1=C(SC)C=C(Br)C=C1 6666-9-07 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.18811 CCOC(=O)C1=C(C)NC(=O)C=C1C 4H23-1-67 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.18811 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1Cl 4H58-5-CG [0,2,0,0,0,0|2,0,0]=4 103 B12R2.2 C1=CC=C(C2CCCO2)C=C1 2H10-1-82 [1,0,0,1,0,0|1,0,1]=4 104 B12R2.1081 CC1=NCCC2=C1C=CC=C2 3H32-1-NK [1,0,0,1,0,0|2,0,0]=4 105 B12R2.1081 O=C1CCCC2=CC=NC=C12 4H17-5-3C [1,0,0,1,0,0|2,0,0]=4 106 B12R2.1081 O=C1CCCC2=CN=CC=C12 4H56-5-BC [1,0,0,1,0,0|2,0,0]=4 107 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 4H48-1-21 [1,0,0,1,0,0|1,0,0]=3 108 B12R2.612 NC1=CC=C2C(=O)NNC2=C1 4H56-1-19 [1,0,0,1,0,0|2,0,0]=4 109 B14R2.933 O=C(NC1CC1)C2=CC=C(Cl)C=C2 4648-5-2N [0,1,0,1,0,0|2,0,0]=4 110 B14R2.933 O=C(NC1CC1)C2=CC=C(O)C=C2 4648-1-4B [0,1,0,1,0,0|2,0,0]=4 111 B14R2.10627 NC1(C(=O)C2=CC=C(F)C=C2)CC1 4656-7-37 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.938 NC1=CC=C(S(=O)(=O)C2CC2)C=C1 8663-1-0G [0,1,0,1,0,0|2,0,0]=4 113 B14R2.28480 O=C1NCCC2=C1C(F)=CC(Br)=C2 4H48-B-0B [0,1,0,1,0,0|2,0,0]=4 114 B10R1.14 COC(=O)C1=CC(O)=CS1 6H23-1-0V [1,0,0,0,1,0|2,0,0]=4 115 B10R1.14 COC(=O)C1=CC=C(Cl)O1 2H23-5-0B [1,0,0,0,1,0|2,0,0]=4 116 B10R1.14 COC(=O)C1=CN(C)C=C1 4H23-1-GT [1,0,0,0,1,0|2,0,0]=4 117 B10R1.14 COC(=O)C1=CNC(C)=C1 4H23-1-KY [1,0,0,0,1,0|2,0,0]=4 118 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 2623-3-2A [0,0,0,0,0,2|1,0,0]=3 119 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 4658-3-1F [0,0,0,0,0,2|1,0,0]=3 120 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 2623-1-4C [0,0,0,0,0,2|1,0,0]=3 121 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 2623-1-4X [0,0,0,0,0,2|1,0,0]=3