0 B13R1.713 CC(C)N[C@@H](CO)C1=CC=CC=C1 4656-1-RN [0,0,0,0,0,0|1,0,3]=4 1 B13R1.713 CN(C)\C=C(/C#N)C1=CC=CC=C1 3H37-1-ZF [0,0,0,0,0,0|2,0,1]=3 2 B13R1.713 CN(C)\C=C(/C#N)C1=NC=CC=C1 3H37-1-5V [0,0,0,0,0,0|3,0,1]=4 3 B13R1.713 C\C=C(/NC(C)=O)C1=CC=CC=C1 4948-1-01 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.713 [C-]#[N+]\C(=C/N(C)C)C1=CC=NC=C1 3H37-1-ZG [0,0,0,0,0,0|4,0,0]=4 5 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 2617-1-1Z [1,0,0,0,0,0|0,0,1]=2 6 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 4H17-1-9T [1,0,0,0,0,0|1,0,1]=3 7 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 6666-3-06 [1,0,0,0,0,0|1,0,1]=3 8 B14R1.1019 CC1=CC=C(\C(C=O)=C\N(C)C)C=C1 4732-1-00 [0,1,0,0,0,0|1,0,0]=2 9 B14R1.1019 CN(C)\C=C(/C#N)C1=CC=C(Cl)C=C1 3637-5-ZA [0,1,0,0,0,0|2,0,1]=4 10 B14R1.1019 CN(C)\C=C(/C=O)C1=CC=C(Cl)C=C1 4636-5-Z4 [0,1,0,0,0,0|1,0,0]=2 11 B14R1.1020 CN(C)\C=C(/C=O)C1=CC(Cl)=CC=C1 4636-5-Z5 [0,1,0,0,0,0|1,0,0]=2 12 B14R1.6455 CC(C)OC(C(=O)O)C1=CC=CC=C1 2621-1-2P [0,1,0,0,0,0|1,0,1]=3 13 B14R1.6455 O=C(O)\C=C(/C(=O)O)C1=CC=CC=C1 2621-1-1G [0,1,0,0,0,0|2,0,1]=4 14 B14R1.6474 CN(C)\C=C(/C#N)C1=CC=CC=C1F 3637-3-0S [0,1,0,0,0,0|2,0,1]=4 15 B14R2.2 CN(C)CC1=CNC2=CC=CC=C12 3H32-1-5K [0,0,0,1,0,0|2,0,1]=4 16 B14R2.21 CC1=CC(C2=CC=CC=C2)=CN=N1 3H32-1-96 [0,0,0,1,0,0|2,0,1]=4 17 B14R2.21 CC1=CN=CC(C2=CC=CC=C2)=C1 3H32-1-MX [0,0,0,1,0,0|1,0,2]=4 18 B14R2.21 CC1=NC=CC(C2=CC=CC=C2)=C1 3H32-1-NB [0,0,0,1,0,0|2,0,1]=4 19 B14R2.1146 CC1=NC2=CC=CC=C2C(C=O)=C1 4H15-1-9R [0,0,0,1,0,0|1,0,1]=3 20 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 3637-1-Y7 [0,0,0,0,1,0|1,0,2]=4 21 B11R1.16 CCCC(=O)C1=CC=CC=C1 2617-1-Y7 [2,0,0,0,0,0|0,0,1]=3 22 B11R1.16 CCCC(=O)C1=CC=CC=N1 4H17-1-9H [2,0,0,0,0,0|1,0,1]=4 23 B11R1.16 CCCC(=O)C1=CC=CN=C1 4H17-1-7V [2,0,0,0,0,0|1,0,1]=4 24 B11R1.16 CCNC(=O)C1=CC=CN=C1 4H48-1-04W [2,0,0,0,0,0|2,0,0]=4 25 B11R1.16 CCOC(=N)C1=CC=CC=C1 4656-5-2E [2,0,0,0,0,0|2,0,0]=4 26 B11R1.16 CCOC(=O)C1=CC=CC=C1 2623-1-2H [2,0,0,0,0,0|1,0,0]=3 27 B11R1.16 CCOC(=O)C1=CC=CN=C1 4H23-1-D7 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.16 CNOC(=O)C1=CC=CC=C1 4656-5-2V [2,0,0,0,0,0|2,0,0]=4 29 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 2617-1-1B [2,0,0,0,0,0|0,0,1]=3 30 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2617-1-0Z [2,0,0,0,0,0|1,0,1]=4 31 B11R1.91 CC(C)CCC1=CC=CC=C1 1700-1-38 [2,0,0,0,0,0|0,0,2]=4 32 B13R1.532 COC(=O)C(C=O)C1=CC=CC=C1 2623-1-3G [1,1,0,0,0,0|1,0,1]=4 33 B13R1.132 CC(C)CC(=O)C1=CC=C(F)C=C1 2617-3-86 [1,1,0,0,0,0|0,0,1]=3 34 B13R1.132 CC(C)NC(=O)C1=CC=C(Br)C=N1 4H48-9-W4 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.132 CC(C)NC(=O)C1=CC=C(O)C=C1 4648-1-5J [1,1,0,0,0,0|1,0,0]=3 36 B13R1.132 CC(C)OC(=O)C1=CC=C(O)C=C1 2623-1-1R [1,1,0,0,0,0|1,0,0]=3 37 B13R1.147 CC(C)NC(=O)C1=CC=CC(Br)=C1 4648-9-27 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.147 CC(C)NC(=O)C1=CC=CC(F)=C1 4648-3-2D [1,1,0,0,0,0|1,0,0]=3 39 B13R1.147 CC(C)NC(=O)C1=CC=CC(N)=C1 4648-1-99 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.147 CC(C)OC(=O)C1=CC(O)=CC=C1 2623-1-3T [1,1,0,0,0,0|1,0,0]=3 41 B13R1.201 CC(C)OC(=O)C1=C(O)C=CC=C1 2623-1-3S [1,1,0,0,0,0|1,0,0]=3 42 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 8669-1-0J [1,1,0,0,0,0|2,0,0]=4 43 B13R1.352 C=C(O[Si](C)(C)C)C1=CC=CC=C1 6683-1-0B [1,1,0,0,0,0|1,1,0]=4 44 B13R1.352 CC(C)(C)NC(=O)C1=CC=NC=C1 4H48-1-075 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.352 CC(C)(C)NC(=O)C1=CN=CC=C1 4H48-1-074 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.352 CC(C)(C)OC(=O)C1=CC=CC=C1 2623-1-4G [1,1,0,0,0,0|1,0,0]=3 47 B13R1.352 CC(C)(C)OC(=O)C1=NC=CC=C1 4H23-1-HV [1,1,0,0,0,0|2,0,0]=4 48 B13R1.706 CC(C)C(C=O)C1=CC=C(F)C=C1 2717-3-31 [0,1,0,0,1,0|0,0,1]=3 49 B13R1.1111 CC(=O)C(C1=CC=CC=C1)=C(C)C 2917-1-28 [0,1,0,0,1,0|0,0,1]=3 50 B13R1.1111 CC(=O)C(C1=CC=CC=C1)C(C)C 2717-1-47 [0,1,0,0,1,0|0,0,1]=3 51 B13R1.1111 CC(C)C(C(=O)O)C1=CC=CC=C1 2721-1-V3 [0,1,0,0,1,0|0,0,1]=3 52 B13R1.1111 CC(C)[C@H](C(=O)O)C1=CC=CC=C1 2621-1-S4 [0,1,0,0,1,0|0,0,1]=3 53 B15R1.3036 O=C\C(C1=CC=CC=C1)=C(\Cl)C(F)(F)F 2915-7-00 [0,2,0,0,0,0|2,0,0]=4 54 B13R2.15 O=C1CCCN1C2=CC=CC=C2 4H48-1-051 [1,0,0,1,0,0|1,0,1]=4 55 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 2615-1-28 [1,0,0,1,0,0|0,0,2]=4 56 B13R2.328 CC1CC(=O)C2=C(C=CC=C2)N1 4H48-1-B8 [1,0,0,1,0,0|1,0,1]=4 57 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C21 2617-1-1N [1,0,0,1,0,0|0,0,1]=3 58 B13R2.12159 CC1(C)NC(=O)C2=CC=CC=C21 4H48-1-BP [1,0,0,1,0,0|1,0,0]=3 59 B13R2.135 CN1N=C2C=CC=CC2=C1C=O 4H15-1-79 [0,0,0,1,1,0|2,0,0]=4 60 B15R2.629 CN(C)\C=C1/CC2=CC=CC=C2C1=O 4656-1-E10 [0,0,0,1,0,1|1,0,0]=3 61 B15R2.629 CN(C)\C=C1\CC2=CC=CC=C2C1=O 4656-1-6W [0,0,0,1,0,1|1,0,0]=3 62 B15R2.315 CC1(C)N=C(C2=CC=CC=C2)C(=S)N1 7H67-1-61 [0,1,0,1,0,0|1,1,0]=4 63 B15R2.315 CC1(C)OC(=O)C(C2=CC=CC=C2)O1 2H25-1-71 [0,1,0,1,0,0|1,0,1]=4 64 B15R2.65025 CC1(C)CN(C2=CC(Br)=CC=C2)C1=O 4H48-9-2R [0,1,0,1,0,0|1,0,1]=4 65 B15R2.1682 O=C1CC(CO)CN1C2=CC=CC=C2 4H48-1-00W [0,1,0,1,0,0|1,0,1]=4 66 B15R2.21211 CN1C(=O)C=C(C=O)C2=C1C=CC=C2 4H17-1-Y4 [0,1,0,1,0,0|1,0,1]=4 67 B15R2.988 CC1=NC2=CC=CC=C2C(C(N)=O)=C1 4H48-1-09A [0,1,0,1,0,0|1,0,1]=4 68 B15R2.160873 CC(=O)N1CC(C)(C)C2=CC=CC=C21 4H48-1-FK [0,1,0,1,0,0|1,0,1]=4 69 B11R1.36 C=C(C1=CC=CC=C1)C(F)F 1900-3-11 [1,0,0,0,1,0|2,0,0]=4 70 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 2618-1-0B [1,0,0,0,1,0|1,0,1]=4 71 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 4H17-1-7W [1,0,0,0,1,0|1,0,0]=3 72 B11R1.36 CC(C)C(N)C1=CC=CC=C1 3633-5-08 [1,0,0,0,1,0|1,0,1]=4 73 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 2617-5-1E [1,0,0,0,1,0|1,0,0]=3 74 B11R1.36 CC(F)C(=O)C1=CC=CC=C1 2617-3-0K [1,0,0,0,1,0|1,0,0]=3 75 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 4648-1-2V [1,0,0,0,1,0|1,0,0]=3 76 B11R1.36 CN(C)C(=O)C1=CC=CN=C1 4H48-1-07G [1,0,0,0,1,0|2,0,0]=4 77 B11R1.36 CN(N)C(=O)C1=CC=CC=C1 4648-1-92 [1,0,0,0,1,0|2,0,0]=4 78 B11R1.36 O=C(C1=CC=CC=C1)C(O)O 2620-1-0W [1,0,0,0,1,0|2,0,0]=4 79 B11R1.77 CC(C)NC(=O)C1=CSC=C1 8H48-1-0V [1,0,0,0,1,0|2,0,0]=4 80 B13R1.45 C=C(CCN(C)C)C1=CC=CC=C1 3932-1-01 [1,0,0,0,0,1|1,0,1]=4 81 B13R1.45 CC(C)=NOC(=O)C1=CC=CC=C1 4647-1-0H [1,0,0,0,0,1|1,0,1]=4 82 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 2623-1-3V [1,0,0,0,0,1|0,0,1]=3 83 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 4H56-1-07L [1,0,0,0,0,1|2,0,0]=4 84 B13R1.45 CC(F)COC(=O)C1=CC=CC=C1 2623-3-1H [1,0,0,0,0,1|1,0,1]=4 85 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 4656-1-9K [1,0,0,0,0,1|1,0,1]=4 86 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 4630-5-0G [1,0,0,0,0,1|1,0,1]=4 87 B13R1.45 CN(C)C\C=C(/Br)C1=CC=CC=C1 3932-9-01 [1,0,0,0,0,1|2,0,0]=4 88 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=N1 4H32-1-27 [1,0,0,0,0,1|2,0,0]=4 89 B13R1.45 CN(C)\C=N\C(=O)C1=CC=CC=C1 4648-1-88 [1,0,0,0,0,1|1,0,0]=3 90 B13R1.45 CN(C)\C=N\C(=S)C1=CC=CC=C1 7667-1-16 [1,0,0,0,0,1|1,1,0]=4 91 B13R1.348 CC(C)NC(=O)OC1=CC=CC=C1 4656-1-G3 [1,0,0,0,0,1|1,0,0]=3