0 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.32 C=CCN(N)CC1=CC=CC=C1 PH001229 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 R611433 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 S534161 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [1,0,0,0,0,0|0,0,2]=3 13 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [1,0,0,0,0,0|0,0,2]=3 14 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,0,0,0,0,0|0,0,1]=2 22 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.44 C#CCOC(=O)NC1=CC=CC=C1 S370479 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 S427357 [0,1,0,0,0,0|0,0,2]=3 26 B13R1.44 CN(CCCN)CC1=CC=CC=C1 OTV000381 [0,1,0,0,0,0|0,0,2]=3 27 B13R1.44 CNCCN(C)CC1=CC=CC=C1 PH014509 [0,1,0,0,0,0|0,0,2]=3 28 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [0,1,0,0,0,0|1,0,2]=4 29 B13R1.79 CCN(CCCl)CC1=CC=CC=C1 S376841 [0,1,0,0,0,0|1,0,1]=3 30 B13R1.348 C=C(Br)CN(C)CC1=CC=CC=C1 PH012663 [0,1,0,0,0,0|0,0,2]=3 31 B13R1.348 CN(CC(=O)O)CC1=CC=CC=N1 CBR00611 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.348 CN(CC(=O)O)CC1=CC=CN=C1 CBR00618 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.348 CN(CC(=O)O)CC1=CC=NC=C1 CBR01218 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.470 CN(CCO)CC1=C(C=CC=N1)O PH000911 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.1327 CCCC(C)(O)CC1=CC=CC=C1 S946702 [0,1,0,0,0,0|1,0,2]=4 36 B13R1.1327 C[N+]([O-])(CCO)CC1=CC=CC=C1 S412228 [0,1,0,0,0,0|1,0,2]=4 37 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [0,0,0,1,0,0|1,0,1]=3 38 B13R2.15 NN1CCCC1C2=CC=CC=C2 PH011021 [0,0,0,1,0,0|1,0,2]=4 39 B13R2.26 C=CCN1CC2=CC=CC=C2C1 PH012987 [0,0,0,1,0,0|0,0,2]=3 40 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 PH011177 [0,0,0,1,0,0|0,0,2]=3 41 B13R2.64 C1=CC=C(C=C1)CN2CCOC2 CDS000096 [0,0,0,1,0,0|1,0,1]=3 42 B13R2.64 C1=CC=C(C=C1)C[S+]2CCCC2 SYX00265 [0,0,0,1,0,0|1,0,2]=4 43 B13R2.135 N#CC1C(=O)CC2=C1C=CC=C2 S887153 [0,0,0,1,0,0|3,0,0]=4 44 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,0,0,0,1,0|0,0,2]=3 45 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,0,0,0,1,0|1,0,2]=4 46 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,0,0,0,1,0|2,0,1]=4 47 B13R1.42 C/C(=C\C#N)/CCC1=CC=CC=C1 R160423 [0,0,0,0,0,1|2,0,1]=4 48 B13R1.42 CN(CCN)CCC1=CC=CC=C1 PH014610 [0,0,0,0,0,1|1,0,1]=3 49 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 CDS021500 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|0,1,1]=4 56 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|0,0,0]=2 58 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|0,0,0]=2 59 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|1,0,0]=3 61 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.1 ClCCNCC1=CC=C(C=C1)Cl S377902 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.1 OCCNCC1=CC=C(C=C1)Cl S378291 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,1,0,0,0,0|0,0,2]=4 66 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.8 N#CCCCOC1=CC=CC=C1 PH010897 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.8 N#CCCCSC1=CC=CC=C1 S620181 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.8 N#CCCSCC1=CC=CC=C1 S614068 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [1,1,0,0,0,0|0,0,2]=4 74 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [1,1,0,0,0,0|0,0,0]=2 75 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,1,0,0,0,0|0,0,2]=4 77 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,1,0,0,0,0|0,0,2]=4 79 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [1,1,0,0,0,0|0,0,2]=4 80 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [1,1,0,0,0,0|0,0,1]=3 85 B12R1.118 CCN(CC)CC1=CC=CC=N1 S345962 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.39 CC(C)(CC#N)C1=CC=CC=C1 PH001293 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.107 C=C(Cl)CN(C)C1=CC=CC=C1 R226874 [0,1,0,0,1,0|0,0,2]=4 94 B14R1.29 CCCN(C)CC(O)C1=CC=CC=C1 PH014920 [0,1,0,0,0,1|0,0,2]=4 95 B14R1.72 CCN(CCCl)CC1=CC=C(C=C1)Cl PH011865 [0,2,0,0,0,0|1,0,1]=4 96 B14R1.467 CCN(CCCN)CC1=CC=CC=C1 PH014715 [0,2,0,0,0,0|0,0,2]=4 97 B14R1.946 C#CCNC(=O)CC1=CC=CC=C1Cl CDS023603 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.946 CN(CCC#N)CC1=CC=CC=C1Cl PH000549 [0,2,0,0,0,0|0,0,1]=3 99 B14R1.210 CCN(CCCl)CC1=CC=CC=C1Br PH003442 [0,2,0,0,0,0|1,0,1]=4 100 B14R1.210 CCN(CCCl)CC1=CC=CC=C1Cl PH011862 [0,2,0,0,0,0|1,0,1]=4 101 B14R1.210 CCN(CCO)CC1=C(C=CC=C1)Br L157872 [0,2,0,0,0,0|1,0,1]=4 102 B14R1.494 C#CCN(CCCl)CC1=CC=CC=C1 S668206 [0,2,0,0,0,0|0,0,0]=2 103 B14R1.980 CC(C)N(CCCl)CC1=CC=CC=C1 PH019546 [0,2,0,0,0,0|1,0,1]=4 104 B14R1.296 CN(CC1=CC=CC=C1)C(C)(C)C#N PH001490 [0,2,0,0,0,0|1,0,0]=3 105 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [1,0,0,1,0,0|1,0,1]=4 106 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.41 C1=CC=C2NCCNCC2=C1 PH010311 [1,0,0,1,0,0|1,0,1]=4 108 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [1,0,0,1,0,0|0,0,2]=4 109 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [1,0,0,1,0,0|1,0,1]=4 110 B14R2.112 ClCCN1CCC2=C(C1)C=CC=C2 PH015384 [0,0,0,1,0,1|1,0,1]=4 111 B14R2.112 NCCN1CCC2=CC=CC=C2C1 CDS012639 [0,0,0,1,0,1|1,0,1]=4 112 B14R2.112 OCCN1CCC2=CC=CC=C2C1 CBR00381 [0,0,0,1,0,1|1,0,1]=4 113 B14R2.72 BrC1=CC=C(C=C1)CN2CCCC2 PH015438 [0,1,0,1,0,0|0,0,2]=4 114 B14R2.72 ClC1=CC=C(C=C1)CN2CCCC2 PH012276 [0,1,0,1,0,0|0,0,2]=4 115 B14R2.72 NC1=CC=C(C=C1)CN2CCCC2 CBR00965 [0,1,0,1,0,0|0,0,2]=4 116 B14R2.926 CC1=CC=C(C=C1)C2OCCN2C T152749 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.269 CN1CCOC1C2=CC=CC(=C2)Cl T152730 [0,1,0,1,0,0|1,0,1]=4 118 B14R2.716 NC1=CC(=CC=C1)CN2CCCC2 CBR01277 [0,1,0,1,0,0|0,0,2]=4 119 B14R2.716 OC1=CC=CC(=C1)CN2CCCC2 PH009277 [0,1,0,1,0,0|0,0,2]=4 120 B14R2.19 O=C1CN(CN1)CC2=CC=CC=C2 PH015293 [0,1,0,1,0,0|1,0,1]=4 121 B14R2.24 CN1CCNCC1C2=CC=CC=C2 CBR00615 [0,1,0,1,0,0|0,0,2]=4 122 B14R2.517 C#CC[N+]1=C(SC2=C1C=CC=C2)C R307130 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.19306 CN1C(=O)C2=CC=CC=C2C1C#N OTV000844 [0,1,0,1,0,0|1,0,1]=4 124 B14R2.972 CC(CO)N1CC2=C(C1)C=CC=C2 T260681 [0,1,0,1,0,0|1,0,1]=4 125 B14R2.1128 CN1CC2=CC=CC=C2CC1CN CBR00616 [0,1,0,1,0,0|1,0,1]=4 126 B14R2.1128 CN1CC2=CC=CC=C2CC1CN PH019404 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 T327409 [0,1,0,1,0,0|1,0,1]=4 128 B14R2.50 NC1=CC=CC=C1CN2CCCC2 CBR00332 [0,1,0,1,0,0|0,0,2]=4 129 B14R2.296 CN1CCOC1C2=C(C=CC=C2)Cl T152722 [0,1,0,1,0,0|1,0,1]=4 130 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,0,0,0,1,0|2,0,0]=4 131 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,0,0,0,1,0|0,0,1]=3 132 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,0,0,0,1,0|1,0,1]=4 133 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,0,0,0,1,0|2,0,0]=4 134 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [1,0,0,0,1,0|2,0,0]=4