0 B11R1.41 CCOC1=CC=CC=C1C=O 2615-1-1E [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 CCOC1=CC=CC=C1NN 4639-5-10 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.41 CCSC1=CC=CN=C1C#N 7H66-1-0F [0,0,0,0,0,0|2,1,1]=4 3 B10R1.4 CC1=CC=CN=C1CCN 3H30-1-5R [1,0,0,0,0,0|3,0,0]=4 4 B10R1.4 CC1=NC=CN=C1CCO 4H56-1-991 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 CCOC1=CC=CC=C1Cl 2607-5-1F [1,0,0,0,0,0|3,0,0]=4 6 B10R1.4 CCOC1=CC=CC=C1N 4630-1-05 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.4 CCOC1=CC=CN=C1Br 4H56-9-2C [1,0,0,0,0,0|2,0,0]=3 8 B10R1.4 CCOC1=CC=CN=C1C 4H56-1-601 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.4 CCOC1=CC=CN=C1F 4H56-3-EC [1,0,0,0,0,0|2,0,0]=3 10 B10R1.4 CCOC1=CC=CN=C1N 4H30-1-2W [1,0,0,0,0,0|2,0,0]=3 11 B10R1.4 CCOC1=CC=CNC1=O 4H48-1-DC [1,0,0,0,0,0|2,0,1]=4 12 B10R1.4 CCOC1=NC=CC=C1Br 4H56-9-9K [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 CCOC1=NC=CC=C1Cl 4H56-5-8S [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 CCOC1=NC=CC=C1I 4H56-H-30 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.4 CCOC1=NC=CC=C1O 4H56-1-W6 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.4 CCOC1=NC=CN=C1C 4H56-1-0JD [1,0,0,0,0,0|0,0,0]=1 17 B10R1.4 CCOC1=NC=CN=C1N 4H30-1-B1 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.20 C#CC1=CC=CN=C1OC 4H56-1-Z0 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.20 CCC1=CC=CC=C1CC 1700-1-19 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.20 CCC1=CC=CC=C1CO 2701-1-0U [1,0,0,0,0,0|3,0,0]=4 21 B10R1.20 CCC1=CC=CC=C1OC 2707-1-1U [1,0,0,0,0,0|2,0,0]=3 22 B10R1.20 CCC1=NC=CN=C1OC 4H07-1-2M [1,0,0,0,0,0|0,0,0]=1 23 B10R1.20 CNC1=C(CO)C=CC=N1 4H56-1-8V [1,0,0,0,0,0|3,0,0]=4 24 B10R1.20 CNC1=CC=CC=C1OC 4631-1-0Z [1,0,0,0,0,0|3,0,0]=4 25 B10R1.20 COC1=C(CBr)C=CC=C1 2707-9-38 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.20 COC1=C(CO)C=CC=N1 4H07-1-16 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.20 COC1=CC=CC=C1CS 6661-1-07 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.20 COC1=CC=CC=C1OC 2608-1-11 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.20 COC1=CC=CN=C1C#N 4H37-1-7A [1,0,0,0,0,0|2,0,1]=4 30 B10R1.20 COC1=CC=CN=C1C=O 4H15-1-8R [1,0,0,0,0,0|2,0,1]=4 31 B10R1.20 COC1=CC=CN=C1CBr 4H07-9-09 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.20 COC1=CC=CN=C1CN 4H30-1-37 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.20 COC1=CC=CN=C1NN 4H39-1-X0 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.20 COC1=NC=CC=C1CCl 4H07-5-3V [1,0,0,0,0,0|2,0,0]=3 35 B10R1.20 COC1=NC=CC=C1CN 4H56-5-53 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.20 ClCC1=C(CCl)N=CC=N1 3H32-5-AW [1,0,0,0,0,0|2,0,0]=3 37 B10R1.20 ClCC1=CC=CN=C1CCl 3H32-5-9R [1,0,0,0,0,0|3,0,0]=4 38 B10R1.20 ClCC1=CC=CN=C1CCl 3H32-5-GP [1,0,0,0,0,0|3,0,0]=4 39 B12R1.75 CCC1=C(OC(C)=O)C=CC=C1 2723-1-1V [0,1,0,0,0,0|2,0,1]=4 40 B12R1.75 COC1=NC=CN=C1CC(C)C 4H07-1-74 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.75 NCC1=CC=CN=C1OC(F)F 4H56-7-6K [0,1,0,0,0,0|3,0,0]=4 42 B12R1.77 CCC(C)C1=NC=CN=C1OC 4H56-1-873 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.121 CCCOC1=C(CO)C=CC=N1 4H07-1-7F [0,1,0,0,0,0|2,0,0]=3 44 B12R1.121 CCCOC1=NC=CC=C1C=O 4H15-1-9Q [0,1,0,0,0,0|2,0,1]=4 45 B12R1.121 COC1=C(OCCN)C=CC=C1 4656-1-05 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.121 COC1=CC=CC=C1OCCN 4630-5-08 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.121 CSC1=CC=CC=C1OCCN 8666-1-0H [0,1,0,0,0,0|3,0,0]=4 48 B12R1.169 CCOC1=CC=CC=C1OCC 2608-1-12 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.268 CCOC1=CC(Cl)=CN=C1OC 4H56-5-8P [0,1,0,0,0,0|2,0,0]=3 50 B12R1.268 CCOC1=NC(O)=CC=C1C#N 4H37-1-83 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.283 CCOC1=C(C(=O)O)N=CC=N1 4H21-1-LZ [0,1,0,0,0,0|1,0,1]=3 52 B12R1.283 CCOC1=NC=CC=C1[N+](=O)[O-] 4H54-1-FE [0,1,0,0,0,0|3,0,0]=4 53 B12R2.18 CC1NC2=C(C=CC=C2)C1C 3H31-1-C1 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.18 CC1OC2=C(C=CC=N2)C1O 4H56-1-KM [0,0,0,1,0,0|2,0,0]=3 55 B12R2.24 CC1CCC2=CC=CC=C2N1 3H31-1-CU [0,0,0,1,0,0|3,0,0]=4 56 B12R2.24 CC1CNC2=CC=CC=C2O1 4H44-1-40 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.41 C1=CC=C2NCCCCC2=C1 3H31-1-CT [0,0,0,1,0,0|3,0,0]=4 58 B12R2.41 C1=CC=C2OCCCOC2=C1 2H10-1-0U [0,0,0,1,0,0|3,0,0]=4 59 B12R2.315 ClCC1=NC=CC2=C1OCO2 4H56-5-92 [0,0,0,1,0,0|3,0,0]=4 60 B12R2.315 OCC1=CC=CC2=C1OCC2 2H01-1-0J [0,0,0,1,0,0|3,0,0]=4 61 B12R2.315 OCC1=NC=CC2=C1OCO2 4H56-1-GV [0,0,0,1,0,0|3,0,0]=4 62 B12R2.1081 CC1CCNC2=CC=CC=C21 3H31-1-CC [0,0,0,1,0,0|3,0,0]=4 63 B12R2.1081 CN1CCOC2=C1C=CC=C2 4H56-1-0QS [0,0,0,1,0,0|3,0,0]=4 64 B12R2.1081 NC1CCCC2=CC=CN=C21 3H30-1-PP [0,0,0,1,0,0|3,0,0]=4 65 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 3H32-5-R8 [0,0,0,1,0,0|3,0,0]=4 66 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 3H30-5-S8 [0,0,0,1,0,0|3,0,0]=4 67 B12R2.1081 N[C@H]1CCOC2=CC=CC=C21 4H30-5-10 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.1081 O=C1CCOC2=CC=CN=C12 4H17-1-7S [0,0,0,1,0,0|2,0,1]=4 69 B12R2.1081 OC1CCCC2=CC=CN=C21 4H56-5-H8 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.8 CCCC1=CC=CC=N1 3H32-1-CG [2,0,0,0,0,0|2,0,0]=4 71 B9R1.8 CCCC1=CN=CC=N1 3H32-1-JB [2,0,0,0,0,0|1,0,0]=3 72 B9R1.8 CCNC1=CC=CC=N1 3H31-1-CL [2,0,0,0,0,0|2,0,0]=4 73 B9R1.8 CCNC1=CC=CN=C1 3H31-1-C9 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.8 CCOC1=CC=CC=N1 4H07-1-71 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.8 CCOC1=CC=CN=C1 4H56-1-600 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.8 CCOC1=CC=CN=N1 4H07-1-2S [2,0,0,0,0,0|2,0,0]=4 77 B9R1.8 CCOC1=CN=CC=N1 4H56-1-874 [2,0,0,0,0,0|0,0,0]=2 78 B9R1.8 NCCC1=CN=CC=N1 3H30-5-53 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.8 OCCC1=CN=CC=N1 4H56-1-0AT [2,0,0,0,0,0|2,0,0]=4 80 B9R1.8 SCCC1=CN=CC=N1 8H61-1-0A [2,0,0,0,0,0|2,0,0]=4 81 B9R1.15 C=CC1=NC=CN=C1C 3H32-1-DL [2,0,0,0,0,0|0,0,2]=4 82 B9R1.15 CC1=C(CCl)N=CC=N1 3H32-5-5Z [2,0,0,0,0,0|1,0,0]=3 83 B9R1.15 CC1=CC=CN=C1CCl 3H32-5-GG [2,0,0,0,0,0|2,0,0]=4 84 B9R1.15 CC1=CC=CN=C1CCl 3H32-5-KL [2,0,0,0,0,0|2,0,0]=4 85 B9R1.15 CC1=CC=CN=C1CN 3H30-1-Z4 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.15 CC1=NC=CC=C1CBr 3H32-9-BK [2,0,0,0,0,0|2,0,0]=4 87 B9R1.15 CC1=NC=CC=C1CO 4H01-1-A4 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.15 CC1=NC=CN=C1CO 4H56-1-772 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.15 CCC1=CC=CC=C1O 2701-1-13 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.15 CCC1=CC=CN=C1N 3H30-1-UE [2,0,0,0,0,0|2,0,0]=4 91 B9R1.15 CCC1=NC=CN=C1C 3H32-1-4C [2,0,0,0,0,0|0,0,0]=2 92 B9R1.15 CCC1=NC=CN=C1Cl 3H32-5-NP [2,0,0,0,0,0|1,0,0]=3 93 B9R1.15 COC1=C(N)N=CC=N1 4H56-1-8M [2,0,0,0,0,0|1,0,0]=3 94 B9R1.15 COC1=CC=CN=C1C 4H56-1-620 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.15 COC1=CC=CN=C1F 4H07-3-1G [2,0,0,0,0,0|2,0,0]=4 96 B9R1.15 COC1=NC=CC=C1C 4H07-1-2Z [2,0,0,0,0,0|1,0,0]=3 97 B9R1.15 COC1=NC=CC=C1O 2H07-1-0C [2,0,0,0,0,0|2,0,0]=4 98 B9R1.15 COC1=NC=CN=C1C 4H56-1-888 [2,0,0,0,0,0|0,0,0]=2 99 B9R1.15 CSC1=NC=CN=C1C 7H66-1-81 [2,0,0,0,0,0|0,1,0]=3 100 B9R1.15 ClCC1=NC=CN=C1Cl 3H32-5-QR [2,0,0,0,0,0|2,0,0]=4 101 B9R1.15 NCC1=NC=CC=C1O 4H30-1-CD [2,0,0,0,0,0|2,0,0]=4 102 B9R1.15 NCC1=NC=CN=C1Cl 3H30-5-0X [2,0,0,0,0,0|2,0,0]=4 103 B9R1.15 NCC1=NC=CN=C1Cl 3H30-5-5V [2,0,0,0,0,0|2,0,0]=4 104 B9R1.15 OCC1=NC=CN=C1Cl 4H56-5-0F [2,0,0,0,0,0|2,0,0]=4 105 B11R1.17 CC1=CC=CC=C1OCCN 4756-1-2Q [1,1,0,0,0,0|2,0,0]=4 106 B11R1.81 CCOC1=NC=C(Br)C=C1C 4H56-9-2F [1,1,0,0,0,0|1,0,0]=3 107 B11R1.81 CCOC1=NC=C(Br)C=C1I 4H56-S-06 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.81 CCOC1=NC=C(C)C=C1Br 4H07-9-30 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.81 CCOC1=NC=C(Cl)C=C1F 4H56-7-1Z [1,1,0,0,0,0|2,0,0]=4 110 B11R1.81 CCOC1=NC=C(N)C=C1Br 4H56-9-2H [1,1,0,0,0,0|2,0,0]=4 111 B11R1.86 CC(C)OC1=NC=CC=C1I 4H56-H-27 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.86 CC1=C(OC(C)C)C=CC=C1 2707-1-1T [1,1,0,0,0,0|2,0,0]=4 113 B11R1.86 CC1=NC=CN=C1CC(C)C 3H32-1-JD [1,1,0,0,0,0|1,0,0]=3 114 B11R1.86 CC1=NC=CN=C1OC(C)C 4H07-1-5Q [1,1,0,0,0,0|0,0,0]=2 115 B11R1.182 CCOC1=CC(Br)=CN=C1Br 4H07-9-0W [1,1,0,0,0,0|2,0,0]=4 116 B11R1.182 CCOC1=CC(Br)=CN=C1N 4H30-9-0B [1,1,0,0,0,0|2,0,0]=4 117 B11R1.222 CCC(=O)C1=NC=CC=C1C 4H17-1-9B [1,1,0,0,0,0|2,0,0]=4 118 B11R1.222 CCC(N)C1=NC=CC=C1C 3H30-1-VL [1,1,0,0,0,0|2,0,0]=4 119 B11R1.222 COC(=O)C1=NC=CN=C1C 4H23-1-FW [1,1,0,0,0,0|2,0,0]=4 120 B11R1.605 CCOC1=C(C)C=CC=C1N 4730-1-0G [1,1,0,0,0,0|2,0,0]=4 121 B11R1.37 COC1=CC(Cl)=CN=C1OC 4H08-5-0A [1,1,0,0,0,0|2,0,0]=4 122 B11R1.37 COC1=CC=C(N)N=C1OC 4H30-1-AT [1,1,0,0,0,0|2,0,0]=4 123 B11R1.37 COC1=NC(N)=CN=C1C#N 4H37-1-8J [1,1,0,0,0,0|1,0,1]=4 124 B11R1.37 COC1=NC=C(Br)C=C1CO 4H56-9-N7 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.53 CCC1=NC=CN=C1C(C)=O 4H17-1-8W [1,1,0,0,0,0|0,0,1]=3 126 B11R1.53 COC1=CC=CN=C1C(C)=O 4H17-1-8S [1,1,0,0,0,0|1,0,1]=4 127 B11R1.53 COC1=NC=CC=C1C(C)=O 4H17-1-3Y [1,1,0,0,0,0|1,0,1]=4 128 B11R1.53 COC1=NC=CN=C1C(=O)O 4H21-1-FP [1,1,0,0,0,0|1,0,1]=4 129 B11R1.265 COC1=NC=CC(O)=C1OC 4H08-1-0R [1,1,0,0,0,0|2,0,0]=4 130 B11R1.193 CCCN1N=CN=C1C(C)N 3H30-1-VG [0,1,0,0,1,0|2,0,0]=4 131 B13R1.380 CCOC1=NC=CC=C1OC(C)C 4H07-1-3V [0,2,0,0,0,0|1,0,0]=3 132 B13R1.622 CC(C)(C)OC1=NC=CC=C1CN 4H56-1-CJ [0,2,0,0,0,0|2,0,0]=4 133 B13R1.3089 COC1=NC=C(Cl)C=C1OC(C)C 4H56-5-9G [0,2,0,0,0,0|2,0,0]=4 134 B13R1.464 CCOC(=O)C1=CC=CN=C1CN 4H58-5-7L [0,2,0,0,0,0|2,0,0]=4 135 B13R1.1248 CCOC1=CC=C(N)C=C1OCC 4630-1-1U [0,2,0,0,0,0|2,0,0]=4 136 B13R1.485 CCCOC1=CC=CN=C1OCC 4H07-1-3W [0,2,0,0,0,0|1,0,0]=3 137 B13R1.485 CCOC1=C(OCCN)C=CC=C1 4656-1-06 [0,2,0,0,0,0|2,0,0]=4 138 B13R1.485 CCOC1=CC=CC=C1OCCBr 2608-9-01 [0,2,0,0,0,0|2,0,0]=4 139 B13R1.556 CCCOC1=CC(Cl)=CN=C1OC 4H56-5-8N [0,2,0,0,0,0|2,0,0]=4 140 B13R1.381 CCOC1=C([Si](C)(C)C)C=CC=N1 8H80-1-0G [0,2,0,0,0,0|1,1,0]=4 141 B13R1.381 CCOC1=NC=CC=C1C(F)(F)F 4H07-3-1X [0,2,0,0,0,0|2,0,0]=4 142 B11R1.16 CCOC(=N)C1=CC=CC=N1 4H56-1-26 [0,0,1,1,0,0|0,0,2]=4 143 B11R1.192 CCOC1=CC(C)=C(Br)C=N1 4H56-9-M3 [0,0,1,1,0,0|1,0,1]=4 144 B11R2.10 CC1CC2=C(C=CC=C2)O1 2H10-1-0K [1,0,0,1,0,0|2,0,0]=4 145 B11R2.20 C1=CC=C2OCCCC2=C1 2H07-1-0E [1,0,0,1,0,0|2,0,0]=4 146 B11R2.20 C1=CN=C2CCCCC2=C1 3H32-1-CR [1,0,0,1,0,0|2,0,0]=4 147 B11R2.20 C1=CN=C2CCCCC2=N1 3H32-1-JK [1,0,0,1,0,0|1,0,0]=3 148 B11R2.20 C1=CN=C2CCCNC2=C1 3H32-1-HQ [1,0,0,1,0,0|2,0,0]=4 149 B11R2.20 C1=CN=C2NCCCC2=C1 3H32-1-JY [1,0,0,1,0,0|2,0,0]=4 150 B11R2.20 C1=CN=C2NCCOC2=C1 4H56-1-269 [1,0,0,1,0,0|2,0,0]=4 151 B11R2.20 C1=CN=C2OCCOC2=C1 4H56-1-0PT [1,0,0,1,0,0|2,0,0]=4 152 B11R2.55 NC1=NC=CN=C1C2CC2 3H30-1-JZ [1,0,0,1,0,0|2,0,0]=4 153 B11R2.1 CC1CCC2=C1N=CC=N2 3H32-1-GW [1,0,0,1,0,0|0,0,0]=2 154 B11R2.1 NC1CCC2=CC=CN=C21 3H30-5-1N [1,0,0,1,0,0|2,0,0]=4 155 B11R2.1 OC1CCC2=CC=CN=C21 4H02-1-0F [1,0,0,1,0,0|2,0,0]=4 156 B11R2.36 CC1CCC2=NNC=C2C1 3H33-5-0U [0,0,0,1,1,0|2,0,0]=4 157 B13R2.222 CC1(C)CCC2=CC=CC=C2O1 2H10-1-37 [0,1,0,1,0,0|2,0,0]=4 158 B13R2.5252 NC1CCCCC2=CC=CN=C21 3H30-1-FQ [0,1,0,1,0,0|2,0,0]=4 159 B13R2.5252 OC1CCCOC2=C1C=CC=C2 2H01-1-01 [0,1,0,1,0,0|2,0,0]=4 160 B13R2.57 BrCC1CCC2=CC=CC=C2O1 2H10-9-X7 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.33 CCOC1=C(C)N=CO1 4H07-1-3B [1,0,0,0,1,0|1,0,0]=3 162 B9R1.14 CCC1=CNC=C1CC 3H31-1-DT [1,0,0,0,1,0|2,0,0]=4 163 B9R1.14 COC1=C(CN)SC=C1 8H56-1-X8 [1,0,0,0,1,0|2,0,0]=4 164 B9R1.14 COC1=C(CO)SC=C1 6H66-1-76 [1,0,0,0,1,0|2,0,0]=4