0 B7R0.3 COC(=O)CCC=C AB16906 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.3 COC(=O)CCCO AB65249 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CNC(=O)CC#N AB03253 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.1 COC(=O)CC#C AB11822 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.1 COC(=O)\C=C\N AB31601 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.1 C1CC(=O)NC1CN AB28123 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.3 C1CC(=O)CCC1N AB26267 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.3 C1CC(=O)NCC1N PB22229 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.5 CC1C=CN=NC1=O PB32620 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.5 CC1CNCCC1=O PB23474 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.5 CC1COCCC1=O PB26907 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.50 CN1C(=O)CNC1=O AB65979 [0,0,0,1,0,0|3,0,0]=4 24 B5R0.3 CCC(=O)C=O AB21438 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.3 CCC(=O)NN PB26058 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.3 COC(=O)CN AB01112 [2,0,0,0,0,0|1,1,0]=4 27 B7R0.5 CC(C)C(=O)CC#N AB22304 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.7 COCC(=O)CC#N AB63823 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.6 CC(=O)CNC(=O)C AB02398 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.6 CC(=O)NCC(=O)O AB00351 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.1 CNCCCCC=C CB11323 [1,1,0,0,0,0|1,0,1]=4 33 B9R0.34 CCOC(=O)CC(C=C)O MB69298 [0,2,0,0,0,0|1,0,0]=3 34 B9R0.34 CCOC(=O)CC(C=O)Cl AB76485 [0,2,0,0,0,0|2,0,0]=4 35 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.1 CCC1=NN=CC1 AB65715 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.1 COc1nccs1 AB09330 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.1 c1csc(n1)CCl AB42463 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.1 c1csc(n1)CN MB03193 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.1 c1csc(n1)CN PB20005 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|1,0,1]=4 44 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.3 C1COCCC1=O PB24536 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.4 Cc1ccsc1Br PB25943 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,1,0,1,0,0|1,0,1]=4 54 B9R1.69 CC1C=C(N=NC1=O)C PB18522 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.82 COC(=O)C1CC(=C)C1 PB23217 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.132 CN1C(CCC1=O)C=C MB69106 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.1 C1CC(=O)CCC1C=O AB21200 [0,1,0,1,0,0|1,0,1]=4 59 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [0,1,0,1,0,0|2,0,0]=4