0 B14R1.158 CN(CCCCN)CC1=CC=CC=C1 CS-0336371 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.28 BrCCCCCCC1=CC=CC=C1 CS-0158389 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.28 ICCCCOCC1=CC=CC=C1 CS-0435078 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.28 OCCCCCCC1=CC=CC=C1 CS-0204723 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.28 OCCCCOCC1=CC=CC=C1 CS-0138271 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.44 C=CCOC(=O)OC1=CC=CC=C1 CS-0157981 [1,0,0,0,0,0|1,0,2]=4 6 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 CS-W018590 [0,1,0,0,0,0|2,0,1]=4 7 B15R2.64 O=C(NC1=CC=CC=C1)[C@@H]2CCCN2 CS-0149873 [0,0,0,1,0,0|3,0,0]=4 8 B15R2.2167 C1=CC=C(CN2CCCCCC2)C=C1 CS-0259209 [0,0,0,1,0,0|3,0,0]=4 9 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CS-0198344 [0,0,0,0,1,0|1,0,2]=4 10 B13R1.24 CCCCOC(=O)C1=CN=CC=C1 CS-0152098 [0,0,0,0,1,0|1,0,0]=2 11 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CS-0372187 [0,0,0,0,1,0|3,0,0]=4 12 B15R1.78 CNCCNC(=O)OCC1=CC=CC=C1 CS-0099846 [0,0,0,0,0,1|2,0,0]=3 13 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 CS-W012732 [0,0,0,0,0,1|2,0,0]=3 14 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 CS-W022584 [0,0,0,0,0,1|2,0,0]=3 15 B15R1.78 O=C(CCCCO)OCC1=CC=CC=C1 CS-0196695 [0,0,0,0,0,1|2,0,0]=3 16 B15R1.78 O=C(NCCCO)OCC1=CC=CC=C1 CS-0098240 [0,0,0,0,0,1|2,0,0]=3 17 B12R1.8 BrCCCCCC1=CC=CC=C1 CS-0186084 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.8 BrCCCOCC1=CC=CC=C1 CS-W001590 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.8 CCCCC#CC1=CC=CC=C1 CS-0152398 [2,0,0,0,0,0|0,0,2]=4 20 B12R1.8 CCCCCC[N+]1=CC=CC=C1 CS-0152323 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.8 CCCCCC[N+]1=CC=CC=C1 CS-0378406 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.8 CCCCCNC1=CC=CC=C1 CS-0152133 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.8 N#CCCOCC1=CC=CC=C1 CS-0156145 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.8 NCCCCCC1=CC=CC=C1 CS-0096226 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.8 NCCCNCC1=CC=CC=C1 CS-W022916 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.8 OCCCNCC1=CC=CC=C1 CS-0067773 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.8 OCCCOCC1=CC=CC=C1 CS-W004789 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CS-W016112 [2,0,0,0,0,0|0,0,0]=2 29 B12R1.32 CCOC(=O)CC1=CC=NC=C1 CS-W017889 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.32 CCOC(=O)CC1=CC=NC=N1 CS-0054939 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.32 CCOC(=O)CC1=CN=CC=C1 CS-W002001 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.32 CCOC(=O)CC1=NC=CC=C1 CS-0020135 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS-W003699 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.32 CCOC(=O)CC1=NN=CC=C1 CS-0049523 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 CS-0151874 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.32 CCOC(=O)NC1=CC=NC=C1 CS-0028344 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 CS-0079928 [2,0,0,0,0,0|2,0,0]=4 38 B14R1.14 CCCCCCCC1=CC=C(Br)C=C1 CS-0128870 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.38 CCCCC#CC(O)C1=CC=CC=C1 CS-1014425 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.123 BrCCCCCOCC1=CC=CC=C1 CS-0132768 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.123 OCCCCCNCC1=CC=CC=C1 CS-0316253 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.123 OCCCCCOCC1=CC=CC=C1 CS-W010646 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CS-0526537 [1,1,0,0,0,0|0,0,2]=4 44 B14R1.34 CC1=CC(NC(=O)CCCCl)=CC=C1 CS-0281043 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 CS-4783 [0,1,0,0,1,0|0,0,0]=2 46 B14R1.20 CCCCNC(=O)C1=CC(N)=CC=C1 CS-0186766 [0,1,0,0,1,0|1,0,0]=3 47 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 CS-W014968 [0,1,0,0,1,0|2,0,0]=4 48 B14R1.1035 NC1=C(C(=O)NCCCO)C=CC=C1 CS-0205032 [0,1,0,0,1,0|2,0,0]=4 49 B16R1.608 CC(C)OCNC(=O)OCC1=CC=CC=C1 CS-0568967 [0,1,0,0,0,1|2,0,0]=4 50 B16R1.688 NCCCCNC(=O)OCC1=CC=CC=C1 CS-0149909 [0,1,0,0,0,1|1,0,0]=3 51 B16R1.688 O=C(NCCCCO)OCC1=CC=CC=C1 CS-0095264 [0,1,0,0,0,1|1,0,0]=3 52 B16R1.1516 CN(CCCO)C(=O)OCC1=CC=CC=C1 CS-0466934 [0,1,0,0,0,1|2,0,0]=4 53 B16R1.1407 C(C1=CC=CC=C1)=C(/C=O)CCCCCC CS-W014834 [0,2,0,0,0,0|1,0,1]=4 54 B14R2.3 CCCCN1C=NC2=CC=CC=C21 CS-M0010 [1,0,0,1,0,0|2,0,0]=4 55 B14R2.6 C1=CC=C(C[C@@H]2CNCCO2)C=C1 CS-0188089 [1,0,0,1,0,0|1,0,1]=4 56 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 CS-0040342 [1,0,0,1,0,0|1,0,1]=4 57 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 CS-0616749 [1,0,0,1,0,0|1,0,1]=4 58 B14R2.510 CC\C=C1/OC(=O)C2=C1C=CC=C2 CS-0431730 [0,0,0,1,1,0|0,0,2]=4 59 B16R2.2238 O=C(OCC1=CC=CC=C1)C2CCOC2 CS-0495351 [0,0,0,1,0,1|2,0,0]=4 60 B16R2.2238 [C@@H]1(C(=O)OCC2=CC=CC=C2)CCCN1 CS-W012787 [0,0,0,1,0,1|2,0,0]=4 61 B16R2.2238 [C@H]1(C(=O)OCC2=CC=CC=C2)CCCN1 CS-W012788 [0,0,0,1,0,1|2,0,0]=4 62 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 CS-0045529 [0,0,0,1,0,1|2,0,0]=4 63 B16R2.88 O=C(NC1=CC=CC=C1)C2CCNCC2 CS-0466296 [0,1,0,1,0,0|2,0,0]=4 64 B16R2.88 O=C(NC1=CC=CC=C1)N2CCNCC2 CS-0293565 [0,1,0,1,0,0|2,0,0]=4 65 B16R2.88 O=C(OC1=CC=CC=C1)N2CCOCC2 CS-0243420 [0,1,0,1,0,0|2,0,0]=4 66 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 CS-0109541 [1,0,0,0,1,0|0,0,2]=4 67 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CS-0205152 [1,0,0,0,1,0|0,0,2]=4 68 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CS-W010853 [1,0,0,0,1,0|0,0,0]=2 69 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS-0152062 [1,0,0,0,1,0|0,0,0]=2 70 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 CS-0156543 [1,0,0,0,1,0|1,0,0]=3 71 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 CS-W016989 [1,0,0,0,1,0|1,0,0]=3 72 B12R1.30 O=C(OCCI)C1=CC=CC=C1 CS-0207181 [1,0,0,0,1,0|1,0,0]=3 73 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CS-0233065 [1,0,0,0,1,0|1,0,0]=3