0 B9R1.12 COCC[C@H]1CCCN1 SPC-s798 [1,0,0,0,0,0|3,0,0]=4 1 B11R1.25 COC(=O)CC[C@H]1CCNC1 SPC-n431 [0,1,0,0,0,0|3,0,0]=4 2 B11R2.748 O=C1CC2(CCCC2)CN1 SPC-b637 [0,0,0,1,0,0|2,0,0]=3 3 B11R2.748 O=C1C[C@@]2(CCOC2)CN1 SPC-b636 [0,0,0,1,0,0|3,0,0]=4 4 B9R1.13 CC(=O)N[C@@H]1CCNC1 SPC-q203 [0,0,0,0,1,0|3,0,0]=4 5 B9R1.13 CC(=O)N[C@H]1CCNC1 SPC-k929 [0,0,0,0,1,0|3,0,0]=4 6 B9R1.13 CN(C)C[C@@H]1CCCN1 SPC-t161 [0,0,0,0,1,0|3,0,0]=4 7 B9R1.13 CN(C)C[C@H]1CCCN1 SPC-k879 [0,0,0,0,1,0|3,0,0]=4 8 B9R1.13 O=C(O)CC1CCCC1 SPC-k446 [0,0,0,0,1,0|2,0,0]=3 9 B9R1.13 O=C(O)C[C@@H]1CCNC1 SPC-s817 [0,0,0,0,1,0|3,0,0]=4 10 B9R1.13 O=C(O)C[C@H]1CCNC1 SPC-j407 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.13 O=C(O)C[C@H]1CCOC1 SPC-v310 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.84 O=C(O)\C=C\C1CCC1 SPC-u812 [0,0,0,0,1,0|2,0,1]=4 13 B8R1.8 CNC[C@@H]1CCCN1 SPC-u242 [2,0,0,0,0,0|2,0,0]=4 14 B8R1.8 CNC[C@H]1CCCN1 SPC-u243 [2,0,0,0,0,0|2,0,0]=4 15 B8R1.8 COC[C@@H]1CCCN1 SPC-t889 [2,0,0,0,0,0|1,0,0]=3 16 B8R1.8 COC[C@@H]1CCNC1 SPC-m151 [2,0,0,0,0,0|2,0,0]=4 17 B8R1.8 COC[C@H]1CCNC1 SPC-m152 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.8 COC[C@H]1CCNC1 SPC-n031 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.8 COC[C@H]1CCNC1 SPC-p279 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 SPC-k333 [0,1,0,0,1,0|2,0,0]=4 21 B10R1.61 CC(=O)C1CCCCC1F SPC-u650 [0,0,1,1,0,0|2,0,0]=4 22 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 SPC-t571 [0,0,1,1,0,0|2,0,0]=4 23 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 SPC-v191 [0,0,1,1,0,0|2,0,0]=4 24 B10R2.3 O=C1CCC12CCCC2 SPC-b340 [1,0,0,1,0,0|2,0,0]=4 25 B10R2.3 O=C1NCC12CCCC2 SPC-b648 [1,0,0,1,0,0|2,0,0]=4 26 B10R2.178 O=C1CCC2CCC1N2 SPC-p868 [1,0,0,1,0,0|2,0,0]=4 27 B10R2.178 O=C1NCC2CCC1N2 SPC-n091 [1,0,0,1,0,0|2,0,0]=4 28 B10R2.483 C1CO[C@]2(C1)CCNC2 SPC-i201 [1,0,0,1,0,0|1,0,1]=4 29 B10R2.483 C1CO[C@]2(C1)CCNC2 SPC-t956 [1,0,0,1,0,0|1,0,1]=4 30 B10R2.2 O=C1CC2CNCC2C1 SPC-k053 [0,0,0,1,1,0|2,0,0]=4 31 B10R2.2 O=C1CC2CSCC2C1 SPC-k037 [0,0,0,1,1,0|2,0,0]=4 32 B10R2.71 NC1CC2CCC(C1)O2 SPC-u394 [0,0,0,1,1,0|1,0,1]=4 33 B10R2.71 NC1CC2CCC(C1)O2 SPC-u404 [0,0,0,1,1,0|1,0,1]=4 34 B10R2.71 O=C1CC2C=CC(C1)O2 SPC-g990 [0,0,0,1,1,0|0,0,2]=4 35 B10R2.71 O=C1CC2CCC(C1)C2 SPC-j939 [0,0,0,1,1,0|1,0,0]=3 36 B10R2.71 O=C1CC2CCC(C1)N2 SPC-g260 [0,0,0,1,1,0|1,0,0]=3 37 B10R2.71 O=C1CC2CCC(C1)O2 SPC-h399 [0,0,0,1,1,0|0,0,0]=2 38 B10R2.316 C=C1CC2(C1)OCCO2 SPC-i374 [0,0,0,1,1,0|2,0,0]=4 39 B10R2.316 O=C1CC2(CCCC2)C1 SPC-b338 [0,0,0,1,1,0|1,0,0]=3 40 B10R2.316 O=C1CC2(CCCC2)N1 SPC-b645 [0,0,0,1,1,0|2,0,0]=4 41 B10R2.351 O=C(O)C1C2CCOC21 SPC-s880 [0,0,0,1,1,0|1,0,0]=3 42 B10R2.332 O=C1CC2(CCC2)CN1 SPC-b632 [0,0,0,1,1,0|1,0,0]=3 43 B10R2.332 O=C1CC2(CN1)COC2 SPC-b024 [0,0,0,1,1,0|2,0,0]=4 44 B10R2.332 O=C1CC2(CN1)CSC2 SPC-b635 [0,0,0,1,1,0|2,0,0]=4 45 B10R2.332 O=C1CC2(CNC2)CN1 SPC-b352 [0,0,0,1,1,0|2,0,0]=4 46 B10R2.332 O=C1CC2(CNC2)CN1 SPC-s215 [0,0,0,1,1,0|2,0,0]=4 47 B10R2.332 O=C1CC2(CNC2)CN1 SPC-t985 [0,0,0,1,1,0|2,0,0]=4 48 B10R2.332 O=C1CCC2(CCC2)C1 SPC-b341 [0,0,0,1,1,0|1,0,0]=3 49 B10R2.332 O=C1CCC2(CCC2)N1 SPC-b639 [0,0,0,1,1,0|2,0,0]=4 50 B10R2.332 O=C1NCC2(CCC2)O1 SPC-i340 [0,0,0,1,1,0|2,0,0]=4 51 B10R2.638 O=C(O)[C@H]1CC12CCC2 SPC-q251 [0,0,0,1,1,0|2,0,0]=4 52 B12R2.2918 O=C1CC2(CCNCC2)CN1 SPC-h861 [0,0,0,1,0,1|2,0,0]=4 53 B12R2.2918 O=C1CC2(CCNCC2)CN1 SPC-r337 [0,0,0,1,0,1|2,0,0]=4 54 B12R2.2918 O=C1CC2(CCOCC2)CN1 SPC-b638 [0,0,0,1,0,1|2,0,0]=4 55 B12R2.2918 O=C1C[C@@]2(CCCNC2)CN1 SPC-t936 [0,0,0,1,0,1|2,0,0]=4 56 B12R2.5121 O=C1CCOC2(CCCC2)C1 SPC-p824 [0,0,0,1,0,1|2,0,0]=4 57 B12R2.1175 O=C1CCC2(CC1)OCCO2 SPC-m902 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.253 O=C(O)C1CC2CCC(C1)O2 SPC-h034 [0,1,0,1,0,0|2,0,0]=4 59 B12R2.1168 NC1CCC2(CNC(=O)C2)C1 SPC-u987 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [0,0,0,0,2,0|2,0,0]=4 61 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [0,0,0,0,2,0|2,0,0]=4 62 B8R1.34 CC(=O)NC1CNC1 SPC-h896 [0,0,0,0,2,0|2,0,0]=4 63 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,0,0,0,2,0|1,0,0]=3 64 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,0,0,0,2,0|2,0,0]=4 65 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,0,0,0,2,0|2,0,0]=4