0 B9R0.2 CC(=O)NCCOCCO Z353623894 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.7 CC(=O)NCCCCN Z600498842 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 CCNCCNC(=O)C Z123868526 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.7 CCOCCCC(=O)O Z316258950 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.7 CCOCCNC(=O)N Z432417116 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.7 CNCCCNC(=O)C Z1269638441 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.7 COCCCOC(=O)C Z1123440688 [1,0,0,0,0,0|1,0,1]=3 13 B10R0.3 CC(=CCC/C(=C/CO)/C)C Z104473544 [0,1,0,0,0,0|3,0,0]=4 14 B10R0.3 CCNC(=O)CCCC(=O)O Z90423818 [0,1,0,0,0,0|3,0,0]=4 15 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,1,0,0,0,0|0,0,2]=3 16 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.55 CC(=O)NCCNC(=O)CCl Z147651640 [0,1,0,0,0,0|3,0,0]=4 18 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,1,0,0,0,0|1,0,2]=4 19 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.18 CC(=O)CN1CC=CCC1 Z2835066994 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.18 CC(=O)NC1CCNCC1 Z969560560 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.64 O=C([O-])C[C@H]1CC=C[C@H]1O Z4284179673 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.66 CC(=O)NCC1CCCN1 Z4898465730 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.66 CC(=O)OCC1CCNC1 Z1201627164 [0,0,0,1,0,0|1,0,1]=3 28 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,0,0,1,0,0|1,0,2]=4 31 B10R1.348 CC(=O)N1CCCCCC1 Z31431946 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.348 CC(=O)N1CCCNCC1 Z166645986 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.348 CC(=O)N1CCCOCC1 Z929561102 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,0,0,1,0,0|2,0,0]=3 35 B7R0.1 CCNCCOCC Z138138014 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.4 CC(=O)NCCCN Z295405102 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.4 CC(=O)NCCCO Z353570744 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.4 CCCCOC(=O)N Z104476286 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.4 CCCSCC(=O)C Z447929234 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.4 CCNCCC(=O)N Z2681234913 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CNCCNC(=O)C Z1456777974 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 COCCCC(=O)C Z406376722 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.4 NCCCOC(=O)N Z3337481796 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.48 CCOC(=O)CNC(=O)C Z54529208 [1,1,0,0,0,0|2,0,0]=4 53 B11R0.147 CC(=O)NCCC(=O)NCCO Z31725282 [0,2,0,0,0,0|2,0,0]=4 54 B9R1.8 CCOC1CCC=CO1 Z104478848 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [1,0,0,1,0,0|0,0,2]=4 57 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [1,0,0,1,0,0|1,0,1]=4 58 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.6 NC(=O)C1CC=CCC1 Z145119476 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.6 O=C([O-])C1CCC=CO1 Z1592042421 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.7 CCCC1CNC(=O)C1 Z1201628058 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.27 CCCCCC1CCC(=O)O1 Z1255430984 [0,1,0,1,0,0|0,0,2]=4 73 B11R1.86 CN1CC=CCC1CC(=O)O Z3506426322 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.91 CC(=O)OCC1CCCNC1 Z1201627162 [0,1,0,1,0,0|0,0,2]=4 75 B11R1.91 CC(=O)OCC1CCNCC1 Z1201627163 [0,1,0,1,0,0|0,0,2]=4 76 B11R1.20 CC(=O)NC1CCC(=O)CC1 Z235341209 [0,1,0,1,0,0|1,0,1]=4 77 B11R1.23 CCC(=O)N1CCNC(=O)C1 Z31602738 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.25 C=CC(=O)NCC1C=CCC1 Z2787081021 [0,1,0,1,0,0|1,0,1]=4 79 B11R1.40 C=CC(=O)NC1CC=CCC1 Z1267813413 [0,1,0,1,0,0|1,0,1]=4 80 B11R1.40 C=CC(=O)N[C@@H]1CC=CCC1 Z4187333436 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.40 C=CC(=O)N[C@H]1CC=CCC1 Z4379715106 [0,1,0,1,0,0|1,0,1]=4 82 B11R1.40 CNC(=O)OC1CCNCC1 Z4461667317 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.40 NCC(=O)OC1CCCCC1 Z1333043376 [0,1,0,1,0,0|0,0,2]=4 84 B11R1.36 NC(C(=O)O)C1CC=CCC1 Z3562671618 [0,1,0,1,0,0|2,0,0]=4 85 B11R2.1 O=C1OCC2C1CCNC2 Z4438428292 [0,0,0,2,0,0|1,0,1]=4 86 B11R2.845 CC(=O)C1CC2C=CC1C2 Z104494380 [0,0,0,2,0,0|1,0,0]=3 87 B11R2.845 NC(=O)C1CC2C=CC1C2 Z33547226 [0,0,0,2,0,0|2,0,0]=4 88 B11R2.845 O=C(O)C1CC2C=CC1C2 Z104495016 [0,0,0,2,0,0|2,0,0]=4 89 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1C2 Z2507795603 [0,0,0,2,0,0|2,0,0]=4