0 B9R0.45 NCCCSSCCCN AT13115 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.4 C#CCCCCCCN AT24987 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.4 C#CCCCCCCN D76981 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.4 NCCN1CCNCC1=O AT12837 [0,0,0,1,0,0|1,0,1]=3 4 B10R1.7 N[C@H]1CCCCCC[C@@H]1O AT10943 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.17 NCCO[C@@H]1CCCCO1 D86038 [0,0,0,1,0,0|3,0,0]=4 6 B7R0.1 C#CCCCCCN D76475 [2,0,0,0,0,0|1,0,1]=4 7 B7R0.1 CCCNNCCC D79943 [2,0,0,0,0,0|2,0,0]=4 8 B7R0.1 NCCCNCCS W12622 [2,0,0,0,0,0|1,0,0]=3 9 B9R1.5 OC1CNCCCC1F 72996 [1,0,0,1,0,0|2,0,0]=4 10 B9R1.8 FCCC1CCNCC1 E73103 [1,0,0,1,0,0|2,0,0]=4 11 B9R1.8 FCCN1CCNCC1 F30109 [1,0,0,1,0,0|1,0,0]=3 12 B9R1.8 N#CC[C@H]1CNCCN1 F53657 [1,0,0,1,0,0|0,0,2]=4 13 B9R1.8 NCC[C@H]1CNCCO1 AT15449 [1,0,0,1,0,0|1,0,0]=3 14 B9R1.8 NCC[C@H]1COCCO1 AT10082 [1,0,0,1,0,0|2,0,0]=4 15 B9R1.8 NCC[C@H]1COCCO1 AT10083 [1,0,0,1,0,0|2,0,0]=4 16 B9R1.8 NCC[C@H]1COCCO1 AT10084 [1,0,0,1,0,0|2,0,0]=4 17 B9R1.8 OCC[C@H]1COCCN1 62954 [1,0,0,1,0,0|2,0,0]=4 18 B9R1.15 CC1NCCCC1CO 72651 [1,0,0,1,0,0|2,0,0]=4 19 B9R1.15 NC[C@H]1CCNC[C@@H]1O P13744 [1,0,0,1,0,0|1,0,0]=3 20 B9R1.15 N[C@H]1CCCC[C@@H]1CO AT25975 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.15 N[C@H]1CCCC[C@H]1CO AT26297 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P15644 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.89 OC[C@H]1CCNCCO1 AT16149 [1,0,0,1,0,0|2,0,0]=4 24 B11R1.203 CNCCN1CCCCCC1 AC9513 [0,1,0,1,0,0|2,0,0]=4 25 B11R2.10 OC1CC2CNCCN2C1 P11877 [0,0,0,2,0,0|2,0,0]=4 26 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 77622 [0,0,0,2,0,0|2,0,0]=4 27 B11R2.10 O[C@H]1C[C@H]2CNCCN2C1 D96764 [0,0,0,2,0,0|2,0,0]=4 28 B11R2.20 C1CC2CCNCC2CN1 C90561 [0,0,0,2,0,0|2,0,0]=4 29 B11R2.20 C1CCN2CCNC[C@@H]2C1 P16465 [0,0,0,2,0,0|2,0,0]=4 30 B11R2.20 C1CN[C@H]2CCCN[C@H]2C1 P10924 [0,0,0,2,0,0|2,0,0]=4 31 B11R2.20 C1CN[C@H]2CNCC[C@@H]2C1 P13061 [0,0,0,2,0,0|2,0,0]=4 32 B11R2.20 C1CN[C@H]2CNCC[C@H]2C1 38776 [0,0,0,2,0,0|2,0,0]=4 33 B11R2.20 C1CN[C@H]2CNCC[C@H]2C1 P13181 [0,0,0,2,0,0|2,0,0]=4 34 B11R2.402 C[C@@]12CCCN1CCNC2 P14241 [0,0,0,2,0,0|2,0,0]=4 35 B11R2.641 NCCN1CCCC2CC21 AT15671 [0,0,0,2,0,0|2,0,0]=4 36 B11R2.143 NCCN1CCCC12CC2 AT15677 [0,0,0,2,0,0|2,0,0]=4 37 B11R2.2 C1CN[C@H]([C@@H]2CCCN2)C1 D75870 [0,0,0,2,0,0|2,0,0]=4 38 B11R2.60 N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2N AT25861 [0,0,0,2,0,0|2,0,0]=4 39 B11R2.60 N[C@H]1CO[C@@H]2[C@H]1OC[C@H]2N AT25863 [0,0,0,2,0,0|2,0,0]=4