0 B7R0.3 CCO\C=C(/C)\C#N AB77030 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.3 COC(=O)CCCO AB65249 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.12 CC\C(=C/OC)\C#N AB77029 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,0,0,1,0,0|1,0,1]=3 4 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.15 CCC1CCCCC1=O AB02693 [0,0,0,1,0,0|0,0,2]=3 6 B9R1.15 CCC1COCCC1=O AB75455 [0,0,0,1,0,0|1,0,2]=4 7 B9R1.15 CCN1CCNCC1=O AB30261 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.21 CCn1cc(nn1)C=O AB76653 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.132 CC1=C(C(=NC1)C=O)C PB21628 [0,0,0,1,0,0|1,0,2]=4 12 B6R0.4 CC(=O)\C=C\OC AB00959 [2,0,0,0,0,0|1,0,1]=4 13 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,1]=4 14 B8R1.1 C1CC(=O)NC1CN AB28123 [1,0,0,1,0,0|2,0,0]=4 15 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [1,0,0,1,0,0|2,0,0]=4 16 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [1,0,0,1,0,0|2,0,0]=4 17 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [1,0,0,1,0,0|2,0,0]=4 18 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [1,0,0,1,0,0|2,0,0]=4 19 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,0,0,1,0,0|2,0,0]=4 20 B8R1.1 CC1=NC(=CC1)C=O AB43978 [1,0,0,1,0,0|1,0,1]=4 21 B8R1.2 C1CCC(=CC1)CBr PB28658 [1,0,0,1,0,0|1,0,1]=4 22 B8R1.2 C1CCNC(C1)C=O AB52540 [1,0,0,1,0,0|1,0,1]=4 23 B8R1.2 C1CCOC(C1)C=O MB05934 [1,0,0,1,0,0|1,0,1]=4 24 B8R1.3 C1CC(=O)CCC1N AB26267 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.3 C1CC(=O)NCC1N PB22229 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.3 CC1CNC(=O)CN1 AB37204 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.3 CC1CNC(=O)CO1 AB71787 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.3 CN1CCC(=CC1)I AB70135 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.5 CC1C(=O)NCCN1 AB04135 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.5 CC1C(=O)NCCO1 AB71412 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.5 CC1CCNCC1=O PB36769 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.5 CC1CNCCC1=O PB23474 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.5 CC1COCCC1=O PB26907 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.22 C1CNCC(=O)NC1 AB30280 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.22 C1CNCCNC1=O AB07054 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.40 COC(=O)CC1CC1 PB20704 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.60 CCC1(COC1)C=O PB22942 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.13 B(C1=CCC(CC1)C)(O)O AB26487 [0,1,0,1,0,0|1,0,1]=4 49 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,1,0,1,0,0|0,0,2]=4 50 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,1,0,0|1,0,1]=4 51 B10R1.348 B(C1=CCCCCC1)(O)O AB20339 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.258 CCn1c(c(cn1)C=O)C CB10580 [0,1,0,1,0,0|1,0,1]=4 53 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|1,0,1]=4