0 B9R1.11 CCC(=O)C1=CC=CO1 N11989 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.11 CNC(=O)C1CCCC1 D76478 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 CC(=O)C1=CCC=C1 77833 [1,0,0,0,0,0|1,0,2]=4 3 B8R1.7 NC(=O)[C@@H]1CCCN1 F16286 [1,0,0,0,0,0|1,0,2]=4 4 B8R1.7 O=C(Cl)N1CCCC1 H10853 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.7 O=C(O)C1=NN=CC1 D87014 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.7 O=C([O-])[C@@H]1CCCN1 D75182 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.11 CCCC(=O)C1=CCC=C1 F14009 [0,1,0,0,0,0|1,0,2]=4 8 B10R1.11 CCOC(=O)C1=CCCO1 D88118 [0,1,0,0,0,0|1,0,1]=3 9 B10R1.11 CCOC(=O)C1SCCS1 D89994 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.11 CCOC(=O)[C@@H]1CCCN1 W15477 [0,1,0,0,0,0|0,0,2]=3 11 B10R1.11 CCOC(=O)[C@H]1CCOC1 70897 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 C10065 [0,1,0,0,0,0|1,0,2]=4 13 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 11344 [0,1,0,0,0,0|1,0,2]=4 14 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 C14224 [0,1,0,0,0,0|1,0,2]=4 15 B10R1.149 COC(=O)C1=C(N)CCC1 S10370 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.149 COC(=O)C1CCCC1O S10371 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.3 CCCC(=O)[C@@H](C)CC D91475 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.3 CCC[C@H](N)C(=O)OC C12608 [0,0,1,0,0,0|1,0,2]=4 19 B8R0.6 CCCCOC(=O)CCl D89195 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.6 CCCCOC(=O)CF D90645 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.6 CCCSCC(=O)OC 35926 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.20 CCC(=O)N(CC)CC D89672 [0,0,1,0,0,0|2,0,0]=3 23 B10R2.178 O=C1CC[C@@H]2CO[C@H]1O2 AT22559 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.38 CNC(=O)C1CCC1 D76479 [0,0,0,0,1,0|1,0,1]=3 25 B10R1.15 CCC(=O)N1CCNCC1 F21173 [0,0,0,0,0,1|2,0,0]=3 26 B10R1.15 COC(=O)C1=CCCNC1 F14151 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.15 COC(=O)N1CCCCC1 64308 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.15 COC(=O)[C@@H]1CCCCN1 25044 [0,0,0,0,0,1|1,0,2]=4 29 B10R1.15 COC(=O)[C@@H]1CNCCO1 36257 [0,0,0,0,0,1|2,0,1]=4 30 B10R1.15 COC(=O)[C@@H]1CNCCO1 D88036 [0,0,0,0,0,1|2,0,1]=4 31 B7R0.3 C=C(CC)CCCC D90439 [1,0,1,0,0,0|1,0,1]=4 32 B7R0.3 CCC(=O)NCCO D90897 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.3 CCCNC(=O)CCl D95642 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.3 CCCOC(=O)CN 77506 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.3 CCC\C=C(/C)CC D91421 [1,0,1,0,0,0|1,0,0]=3 36 B7R0.5 CCCC(=O)C(=O)O T71973 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.5 CCC[C@H](C)C(C)=O T72174 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.10 CCC(=O)\C(C)=N\O D86364 [1,0,1,0,0,0|1,0,0]=3 39 B7R0.10 CCN(C)C(=O)CBr W10395 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.10 C\C=C(\C)C(=O)OC D88382 [1,0,1,0,0,0|1,0,1]=4 41 B7R0.1 CCCC\C=C\CO D90932 [1,0,1,0,0,0|2,0,0]=4 42 B7R0.1 CCC\C=C/CCC D91812 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.1 CCC\C=C\CCC D91813 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.1 CC\C=C/CCCC T71802 [1,0,1,0,0,0|1,0,0]=3 45 B7R0.1 CC\C=C/CCCO D90956 [1,0,1,0,0,0|1,0,0]=3 46 B7R0.1 CC\C=C\CCC=O D90892 [1,0,1,0,0,0|1,0,1]=4 47 B7R0.1 CC\C=C\CCCC D91811 [1,0,1,0,0,0|1,0,0]=3 48 B7R0.4 CC(=O)NCCCO W12709 [1,0,1,0,0,0|2,0,0]=4 49 B7R1.1 C=CC1=NCCO1 L10092 [2,0,0,0,0,0|1,0,1]=4 50 B7R1.1 CCC1=CCCC1 T72078 [2,0,0,0,0,0|1,0,0]=3 51 B7R1.1 CCC1=NCCN1 D90467 [2,0,0,0,0,0|1,0,0]=3 52 B9R0.35 CCOC(=N)C(=O)OCC 12459 [0,1,1,0,0,0|1,0,0]=3 53 B9R0.5 CCCCCC(=O)CCC D91706 [0,1,1,0,0,0|1,0,1]=4 54 B9R0.46 CCCCCCC(=O)CC D91660 [0,1,1,0,0,0|1,0,1]=4 55 B9R0.47 CCCCOC(=O)[C@H](C)Br D88736 [0,1,1,0,0,0|2,0,0]=4 56 B9R0.41 CCN(CC)C(=O)[C@H](C)Cl N11831 [0,1,1,0,0,0|2,0,0]=4 57 B9R1.35 O=C(O)C1=C[C@@H](Br)CC1 97959 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.73 CCOC(=O)C1CNC1 D87600 [0,1,0,0,1,0|1,0,1]=4 59 B9R1.186 COC(=O)C1(N)CCC1 36700 [0,1,0,0,1,0|1,0,1]=4 60 B11R1.16 CCOC(=O)[C@@H]1COCCN1 77676 [0,1,0,0,0,1|0,0,2]=4 61 B11R1.16 NCCC(=O)N1CCCCC1 F21072 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.16 NCCC(=O)N1CCOCC1 C77971 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.30 CCOC(=O)C[C@H]1CCCO1 F52125 [0,1,0,0,0,1|1,0,1]=4 64 B11R1.89 CC(C)C(=O)N1CCCC1=O L10060 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.3 CC1CCCC(C)C1=O D89826 [0,0,1,1,0,0|1,0,1]=4 66 B9R1.69 C[C@H]1CCC(=O)N(C)C1 D90110 [0,0,1,1,0,0|2,0,0]=4 67 B9R1.79 COC(=O)C=C1CCC1 A10070 [0,0,1,1,0,0|2,0,0]=4 68 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 44298 [1,0,0,1,0,0|1,0,1]=4 69 B11R1.40 CCC(=O)OC1CCCCC1 D91966 [0,0,0,0,0,2|1,0,1]=4