0 B11R1.17 NCCOC1=CC=CC=C1F CS-0090999 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.4 CC1=CC=CC=C1CON CS-B1209 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.4 CCNC1=C(N)C=NC=C1 CS-0047266 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.4 N#CCC1=C(Cl)C=CC=N1 CS-0037298 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.4 N#CCC1=CC=CC=C1I CS-0041514 [1,0,0,0,0,0|0,1,2]=4 5 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.69 ClCCOC1=CC=C(Br)C=C1Cl CS-0047047 [0,1,0,0,0,0|3,0,0]=4 7 B12R1.121 CCCOC1=CC=CC=C1C=O CS-0084129 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl CS-W016011 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.371 COC(=O)CC1=CC=CC=C1Br CS-W004685 [0,1,0,0,0,0|1,1,1]=4 10 B12R1.371 COC(=O)CC1=CC=CC=C1N CS-0042528 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.32 C#CC1CC2=CC=CC=C2C1 CS-B0618 [0,0,0,1,0,0|2,0,1]=4 12 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 CS-0038973 [0,0,0,1,0,0|2,0,1]=4 13 B12R2.41 C1=CC=C2CNCCCC2=C1 CS-W018800 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.196 CN1N=CC2=C1C=CC=C2Br CS-0045009 [0,0,0,1,0,0|1,1,1]=4 15 B12R2.196 CN1N=CC2=C1C=CC=C2N CS-W019852 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.196 CN1N=CC2=C1C=CC=C2O CS-0054264 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.196 N[C@@H]1CCC2=C1C=CC=C2Br CS-0054964 [0,0,0,1,0,0|2,1,0]=4 18 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Br CS-0054965 [0,0,0,1,0,0|2,1,0]=4 19 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 CS-W008929 [0,0,0,1,0,0|2,0,0]=3 20 B12R2.1081 BrC1=C2COCCC2=CC=C1 CS-0037565 [0,0,0,1,0,0|2,1,0]=4 21 B12R2.1081 BrC1=CC=CC2=C1CCCO2 CS-0042134 [0,0,0,1,0,0|2,1,0]=4 22 B12R2.1081 BrC1=CC=CC2=C1CCNC2 CS-D0886 [0,0,0,1,0,0|0,1,0]=2 23 B12R2.1081 BrC1=CC=CC2=C1CCNC2 CS-W022295 [0,0,0,1,0,0|0,1,0]=2 24 B12R2.1081 BrC1=CC=CC2=C1CNCC2 CS-W019710 [0,0,0,1,0,0|2,1,0]=4 25 B12R2.1081 O=C1N=CNC2=C1CCNC2 CS-D0072 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.1081 OC1=C2CCNCC2=CC=C1 CS-0035767 [0,0,0,1,0,0|1,0,0]=2 27 B12R2.1081 OC1=CC=NC2=C1CCCC2 CS-0096033 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [2,0,0,0,0,0|0,0,0]=2 29 B9R1.8 CNCC1=NC=CC=C1 CS-0062387 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 CC1=CC=CC=C1CN CS-M1443 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.15 CC1=NC=CC=C1CN CS-0047048 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.15 CCC1=NC=CN=C1Cl CS-0061448 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.15 CC[N+]1=CC=CC=C1Br CS-W012340 [2,0,0,0,0,0|1,1,0]=4 35 B9R1.15 CNC1=C(N)C=CN=C1 CS-0090255 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.15 CNC1=CC=CC=C1O CS-B1556 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.15 CNC1=CC=CN=C1N CS-0090257 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 NCC1=C(Br)C=CN=C1 CS-0102145 [2,0,0,0,0,0|1,1,0]=4 39 B9R1.15 NCC1=C(Cl)C=CN=C1 CS-0038079 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.15 NCC1=NC=CC=C1F CS-0047058 [2,0,0,0,0,0|1,1,0]=4 41 B9R1.15 NCC1=NC=CC=C1F CS-0053366 [2,0,0,0,0,0|1,1,0]=4 42 B9R1.15 OCC1=CC=CN=C1Cl CS-D0980 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.41 COC1=CC=CC=C1CCN CS-M2046 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.81 COCC1=CC=C(Cl)N=C1Cl CS-0036099 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.86 CC(C)OC1=CC=CC=C1N CS-W002583 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.222 CNC(=O)C1=CC=CC=C1N CS-W004940 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.222 NCC(=O)C1=CC=CC=C1F CS-W021538 [1,1,0,0,0,0|0,1,1]=4 48 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CS-B1329 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl CS-0008415 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.1 CCNCC1=CC=C(C)C=C1 CS-0045363 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS-W019837 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.24 O=CCCC1=CC=CC(Br)=C1 CS-B0312 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.24 OCCCC1=CC=CC(Br)=C1 CS-B0313 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.28 C#CCNCC1=CC=CC=C1 CS-0047035 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.28 OCCCCC1=CC=NC=C1 CS-0028752 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS-W021067 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.8919 OCCOCC1=C(Cl)C=CC=C1Cl CS-M2590 [0,2,0,0,0,0|2,0,0]=4 59 B11R2.10 BrC1CC2=C(C=CC=C2)C1 CS-0042740 [1,0,0,1,0,0|2,0,0]=4 60 B11R2.10 CC1CC2=CC=CN=C2N1 CS-B1774 [1,0,0,1,0,0|2,0,0]=4 61 B11R2.20 C1=CC=C2OCCCC2=C1 CS-M3130 [1,0,0,1,0,0|1,0,0]=3 62 B11R2.20 C1=NC=C2CCCNC2=C1 CS-W006210 [1,0,0,1,0,0|2,0,0]=4 63 B11R2.20 C1=NC=C2CCNCC2=C1 CS-WAA0313 [1,0,0,1,0,0|2,0,0]=4 64 B11R2.20 C1=NC=C2CNCCC2=C1 CS-D0201 [1,0,0,1,0,0|2,0,0]=4 65 B11R2.55 NC1=CC=CC=C1C2CC2 CS-0042319 [1,0,0,1,0,0|1,0,0]=3 66 B11R2.106 BrC1=CC=CC2=C1CCC2 CS-0028240 [1,0,0,1,0,0|0,1,0]=3 67 B13R2.162 NC1=CC=CC2=C1CC(O)CC2 CS-B0024 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CS-W020691 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.57 CN[C@H]1CNC2=CC=CC=C2C1 CS-M0364 [0,1,0,1,0,0|1,0,0]=3 70 B13R2.57 CN[C@H]1CNC2=CC=CC=C2C1 CS-M3644 [0,1,0,1,0,0|1,0,0]=3 71 B13R2.1613 COC1=C2CCCCC2=CC=C1 CS-0037094 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.3587 OC1=CC=CC=C1OCC2CC2 CS-0046994 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.5179 O=C1CCC2=C(C=CC=C2Cl)C1 CS-B0108 [0,1,0,1,0,0|1,0,0]=3 74 B13R2.18 FC1=CC=CC=C1C2CCCN2 CS-W008291 [0,1,0,1,0,0|1,1,0]=4 75 B13R2.18 OC1=C(C2CCCC2)C=CC=C1 CS-0082782 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.342 NC1CCCC2=C1C=CC=C2Br CS-0041925 [0,1,0,1,0,0|1,1,0]=4 77 B13R2.342 NC1CCCC2=C1C=CC=C2Br CS-0101657 [0,1,0,1,0,0|1,1,0]=4 78 B13R2.342 NC1CCOC2=C(Cl)C=CC=C21 CS-0101143 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.342 N[C@@H]1CCCC2=C1C=CC=C2Br CS-0101691 [0,1,0,1,0,0|1,1,0]=4 80 B13R2.342 OC1=CC=CC2=C1CCCC2O CS-0113573 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.3683 CN1CCC2=CC(O)=CC=C2C1 CS-0047256 [0,1,0,1,0,0|1,0,0]=3