0 B9R0.45 C(COCCOCCO)N AB31123 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.45 CCCCCCNCCN AB05874 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 C1CCC(CC1)CCCN AB02348 [0,0,0,1,0,0|3,0,0]=4 3 B10R1.17 CSCCC1CNCCN1 AB36160 [0,0,0,1,0,0|3,0,0]=4 4 B10R1.17 CSCC[C@@H]1CNCCN1 AB36163 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.17 CSCC[C@H]1CNCCN1 AB36162 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.20 CCC1C(NCCN1)CC AB37000 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.20 CC[C@@H]1[C@H](NCCN1)CC AB37003 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.20 CC[C@H]1[C@@H](NCCN1)CC AB37004 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.85 C1CCCC(CC1)CCN AB18476 [0,0,0,1,0,0|3,0,0]=4 10 B11R0.3 CCCCCCCCNCCN AB15567 [0,2,0,0,0,0|2,0,0]=4 11 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [1,0,0,1,0,0|2,0,0]=4 12 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [1,0,0,1,0,0|2,0,0]=4 13 B9R1.8 C#CCN1CCNCC1 AB45275 [1,0,0,1,0,0|1,0,1]=4 14 B9R1.8 C1CC(COC1)CCN MB05843 [1,0,0,1,0,0|2,0,0]=4 15 B9R1.8 C1CCC(CC1)CCN AB02346 [1,0,0,1,0,0|2,0,0]=4 16 B9R1.8 C1CCC(CC1)CCN AB09885 [1,0,0,1,0,0|2,0,0]=4 17 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [1,0,0,1,0,0|2,0,0]=4 18 B9R1.8 C1CCOC(C1)CCN AB28415 [1,0,0,1,0,0|2,0,0]=4 19 B9R1.8 C1CN(CCN1)CCCl AB25585 [1,0,0,1,0,0|1,0,0]=3 20 B9R1.8 C1CNC(CN1)CC#N MB07450 [1,0,0,1,0,0|0,0,2]=4 21 B9R1.8 C1COCCC1CCN AB14269 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.8 C1COCCC1CCN PB34023 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.8 C1COCCN1CCI AB60701 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.8 C1CSCCN1CCN AB11122 [1,0,0,1,0,0|1,0,0]=3 25 B9R1.8 CCCC1CNCCO1 AB70522 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.8 CCCC1COCCN1 AB53847 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.8 CSCC1CNCCN1 AB36151 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.8 CSC[C@@H]1CNCCN1 AB36159 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.8 CSC[C@H]1CNCCN1 AB36155 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.12 CCCCC1CCCN1 AB12052 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.14 CCN1CCCC1CN PB19842 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [1,0,0,1,0,0|1,0,0]=3 33 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [1,0,0,1,0,0|1,0,0]=3 34 B9R1.15 C1C=CC[C@@H]([C@@H]1CN)N AB30948 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.15 C1C=CC[C@H]([C@@H]1CN)N AB30951 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.15 C1CC[C@H]([C@@H](C1)CN)N AB29959 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.15 C1CC[C@H]([C@H](C1)CN)N AB29958 [1,0,0,1,0,0|1,0,0]=3 41 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O PB38822 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O PB37859 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.15 C1CNC[C@@H]([C@H]1CO)O PB38900 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.15 C1CNC[C@H]([C@@H]1CN)O PB36505 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.15 CCN1CCNCC1=O AB30261 [1,0,0,1,0,0|1,0,1]=4 48 B11R1.203 C1CCCN(CC1)CCCN AB01303 [0,1,0,1,0,0|2,0,0]=4 49 B11R2.20 C1CCC2C(C1)NCCN2 AB03307 [0,0,0,2,0,0|2,0,0]=4 50 B11R2.20 C1CC[C@@H]2[C@@H](C1)NCCN2 AB37011 [0,0,0,2,0,0|2,0,0]=4 51 B11R2.20 C1CC[C@H]2[C@H](C1)NCCN2 AB37010 [0,0,0,2,0,0|2,0,0]=4 52 B11R2.20 C1CN2CCOC[C@@H]2CN1 PB38283 [0,0,0,2,0,0|2,0,0]=4 53 B11R2.20 C1CNCC2C1CCNC2 AB43609 [0,0,0,2,0,0|2,0,0]=4 54 B11R2.20 C1C[C@@H]2[C@@H](CCCN2)NC1 PB32868 [0,0,0,2,0,0|2,0,0]=4 55 B11R2.20 C1C[C@@H]2[C@@H](CCCN2)NC1 PB33729 [0,0,0,2,0,0|2,0,0]=4 56 B11R2.20 C1C[C@H]2CCNC[C@H]2NC1 PB15533 [0,0,0,2,0,0|2,0,0]=4 57 B11R2.20 C1C[C@H]2CCNC[C@H]2NC1 PB39006 [0,0,0,2,0,0|2,0,0]=4 58 B11R2.20 C1C[C@H]2[C@H](CCCN2)NC1 PB36114 [0,0,0,2,0,0|2,0,0]=4 59 B11R2.18 C1CC2CNCCCN2C1 PB17655 [0,0,0,2,0,0|2,0,0]=4 60 B11R2.1098 C1CC2(CCCN2C1)CN PB24116 [0,0,0,2,0,0|2,0,0]=4 61 B11R2.239 C1CC(C1)C2CNCCN2 AB36976 [0,0,0,2,0,0|2,0,0]=4 62 B11R2.239 C1CC(C1)[C@@H]2CNCCN2 AB36980 [0,0,0,2,0,0|2,0,0]=4 63 B11R2.239 C1CC(C1)[C@H]2CNCCN2 AB36979 [0,0,0,2,0,0|2,0,0]=4 64 B11R2.1261 C1CCC2(C1)CNCCN2 AB29472 [0,0,0,2,0,0|2,0,0]=4 65 B11R2.1261 C1CCC2(C1)CNCCN2 AB36175 [0,0,0,2,0,0|2,0,0]=4