0 B5R0.2 CNCCCN M14932 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.2 NCCCCO A18122 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.2 OCCCCBr B18469 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.2 BrCCCBr D18864 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.2 NCCCCl C18780 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.2 NCCCO A18882 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CCCC(N)CO A18883 [0,1,0,0,0,0|3,0,0]=4 7 B6R0.1 CCOC(=O)CN A14488 [0,1,0,0,0,0|2,1,0]=4 8 B6R0.4 CCC#CC(C)O H5925 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.6 CCCCCCBr S19038 [0,1,0,0,0,0|2,0,0]=3 10 B6R0.6 ICCOCCI I12663 [0,1,0,0,0,0|2,1,0]=4 11 B6R1.1 C1COCCN1 M12430 [0,0,0,1,0,0|2,1,0]=4 12 B6R1.1 C1CSCCN1 T4979 [0,0,0,1,0,0|2,0,0]=3 13 B6R1.2 CC1CCNC1 M17094 [0,0,0,1,0,0|2,0,0]=3 14 B6R1.2 C[C@@H]1CCCN1 M7218 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.2 C[C@H]1CCCN1 M3036 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.2 F[C@H]1CCNC1 F12344 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.2 N[C@@H]1CCNC1 A13883 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.2 N[C@@H]1CCNC1 P6035 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 N[C@H]1CCNC1 A6036 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 N[C@H]1CCOC1 A19174 [0,0,0,1,0,0|2,1,0]=4 21 B6R1.2 O=C1CCSC1 T11319 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.2 O[C@@H]1CCNC1 P4795 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.2 O[C@@H]1CCNC1 P4796 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.2 O[C@@H]1CCOC1 H7200 [0,0,0,1,0,0|2,1,0]=4 25 B6R1.2 O[C@H]1CCNC1 H6043 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 O[C@H]1CCNC1 H6043 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.2 O[C@H]1CCNC1 P6678 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 O[C@H]1CCOC1 H2612 [0,0,0,1,0,0|2,1,0]=4 29 B6R1.3 NCCC1CC1 C14004 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.6 OC[C@@H]1CCN1 A19140 [0,0,0,1,0,0|3,0,0]=4 31 B5R0.1 CCC[C@H](C)O P4807 [1,1,0,0,0,0|1,0,0]=3 32 B5R0.1 COC[C@@H](C)O M5850 [1,1,0,0,0,0|1,1,0]=4 33 B5R0.1 COC[C@H](C)O M5856 [1,1,0,0,0,0|1,1,0]=4 34 B7R0.3 CCCCC(O)CN A13447 [0,2,0,0,0,0|2,0,0]=4 35 B7R0.3 CCOCC(O)CN A15120 [0,2,0,0,0,0|1,1,0]=4 36 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [0,2,0,0,0,0|2,0,0]=4 37 B7R0.8 CC(C)(C)SCCN B7817 [0,2,0,0,0,0|2,0,0]=4 38 B5R1.2 ClC1CCC1 C18781 [1,0,0,1,0,0|2,0,0]=4 39 B5R1.2 NC1CCC1 A18148 [1,0,0,1,0,0|2,0,0]=4 40 B5R1.3 BrCC1CC1 C1292 [1,0,0,1,0,0|2,0,0]=4 41 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|2,0,0]=4 42 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|2,0,0]=4 43 B5R1.4 CC1OC1C E1498 [1,0,0,1,0,0|0,1,0]=3 44 B7R1.1 BrCC1CCCC1 B18461 [0,1,0,1,0,0|2,0,0]=4 45 B7R1.1 CCC1CCCN1 E15991 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.1 NCC1CCNC1 P13897 [0,1,0,1,0,0|2,0,0]=4 47 B7R1.1 NC[C@H]1CCCO1 T11002 [0,1,0,1,0,0|1,1,0]=4 48 B7R1.1 OC[C@@H]1CCCN1 P2200 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.1 OC[C@H]1CCCN1 P6137 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.1 OC[C@H]1CCCN1 P6137 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.3 BrC1CCCCN1 B7610 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.3 BrC1CCCNC1 B7611 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.3 CC1CCCCN1 M6451 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.3 CC1CCCNC1 P3032 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.3 CC1CCNCC1 M11273 [0,1,0,1,0,0|2,0,0]=4 56 B7R1.3 CN1CCCCC1 M3042 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.3 CN1CCNCC1 M12431 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.3 CN1CCOCC1 C2066 [0,1,0,1,0,0|1,1,0]=4 59 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.3 C[C@H]1CCCCN1 M3041 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.3 ClC1CCNCC1 C7399 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.3 FC1CCNCC1 F12346 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.3 NC1CCCNC1 A11018 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.3 NC1CCCNC1 P19410 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.3 NC1CCCNC1 P7273 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.3 NC1CCNCC1 A2317 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.3 NC1CCNCC1 A8187 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.3 NC1CCOCC1 A16695 [0,1,0,1,0,0|1,1,0]=4 69 B7R1.3 NC1CCOCC1 T11516 [0,1,0,1,0,0|1,1,0]=4 70 B7R1.3 NN1CCCCC1 A3686 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.3 N[C@@H]1CCCNC1 A3658 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.3 N[C@H]1CCCNC1 A11799 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.3 OC1CCCNC1 H6045 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.3 OC1CCCNC1 P11038 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.3 OC1CCNCC1 H0402 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.3 OC1CCNCC1 H0402 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.3 OC1CCNCC1 H5175 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.3 O[C@H]1CCCNC1 P3031 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.4 CC1OCCC1S T12619 [0,1,0,1,0,0|1,1,0]=4