0 B8R1.7 C=C(C)C1=CC=CS1 AC1467 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.7 CC(=O)C1=CCC=C1 77833 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 C[C@H](N)C1=NN=CS1 AT18924 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 NC(=O)[C@@H]1CCCN1 F16286 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 O=C(Cl)C1=NC=CS1 78817 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.7 O=C(Cl)N1CCCC1 H10853 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.7 O=C(O)C1=NN=CC1 D87014 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 O=C([O-])C1=CC=CS1 D80257 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.7 O=C([O-])C1=NN=CS1 D81449 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.7 O=C([O-])[C@@H]1CCCN1 D75182 [0,0,0,0,0,0|2,0,2]=4 10 B7R1.1 C=CC1=NCCO1 L10092 [1,0,0,0,0,0|0,1,1]=3 11 B7R1.1 CCC1=CCCC1 T72078 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 CCC1=NCCN1 D90467 [1,0,0,0,0,0|1,0,1]=3 13 B7R1.1 NNC1=NCCN1 AT11910 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.11 CNC(=O)C1CCCC1 D76478 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.35 NC1=NN=C(C(=O)O)S1 O11341 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.35 O=C(O)C1=C[C@@H](Br)CC1 97959 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.35 O=C([O-])C1=NC(Br)=CS1 AT14696 [0,1,0,0,0,0|1,0,2]=4 18 B9R1.41 CC(=O)C1=C(C)N=CS1 83699 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.41 CC(=O)C1=C(Cl)C=CS1 29879 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.4 CC(=O)NCCCO W12709 [0,0,1,0,0,0|2,1,0]=4 21 B7R0.5 CCCC(=O)C(=O)O T71973 [0,0,1,0,0,0|2,1,0]=4 22 B7R0.5 CCC[C@H](C)C(C)=O T72174 [0,0,1,0,0,0|2,0,1]=4 23 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 44298 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.13 CC(=O)NC1=CC=CS1 Y10605 [0,0,0,0,0,1|1,0,2]=4 25 B6R0.4 C#CCSC(C)=O AT19938 [1,0,1,0,0,0|1,0,1]=4 26 B6R0.4 CC(=O)NCCCl 57501 [1,0,1,0,0,0|1,0,1]=4 27 B6R0.4 CC(=O)SCC#N W15790 [1,0,1,0,0,0|0,0,2]=4 28 B6R0.4 CCC#CC(C)=O D90939 [1,0,1,0,0,0|1,0,1]=4 29 B6R0.4 CCCC=C(C)C T72209 [1,0,1,0,0,0|2,0,0]=4 30 B6R0.6 C\C=C/CCCC D90859 [1,0,1,0,0,0|2,0,0]=4 31 B6R0.6 C\C=C/CCCO D90944 [1,0,1,0,0,0|1,1,0]=4 32 B6R0.6 C\C=C\CCCC D90785 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.6 C\C=C\CCCO D71247 [1,0,1,0,0,0|1,1,0]=4 34 B6R0.1 CCOC(=O)C=O D78103 [1,0,1,0,0,0|1,1,0]=4 35 B6R0.1 CCSC(=O)CC D90578 [1,0,1,0,0,0|1,0,1]=4 36 B6R0.1 CC\C=C(/C)C=O D91397 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.3 CC[C@H](C)C(C)=O 29434 [1,0,1,0,0,0|1,0,1]=4 38 B6R0.3 CC[C@H](S)C(C)=O D91570 [1,0,1,0,0,0|0,0,1]=3 39 B6R0.3 CS[C@@H](C)C(C)=O D91444 [1,0,1,0,0,0|0,0,1]=3 40 B6R0.3 C\C=C(\C)C(C)=O D91447 [1,0,1,0,0,0|1,0,0]=3 41 B6R0.9 CC=C(CC)CC D90447 [1,0,1,0,0,0|2,0,0]=4 42 B6R1.2 C=C1CCCC1 D91403 [2,0,0,0,0,0|2,0,0]=4 43 B6R1.2 CC1=CCCC1 A10734 [2,0,0,0,0,0|2,0,0]=4 44 B6R1.2 NC1=NCCN1 D86715 [2,0,0,0,0,0|2,0,0]=4 45 B6R1.2 NC1=NCCS1 D88358 [2,0,0,0,0,0|1,0,0]=3 46 B6R1.2 O=C1CCCS1 W15445 [2,0,0,0,0,0|1,0,0]=3 47 B8R0.6 CCCSCC(=O)OC 35926 [0,1,1,0,0,0|1,0,1]=4 48 B8R0.7 CCCC\C=C\C(C)=O D91847 [0,1,1,0,0,0|2,0,0]=4 49 B8R0.8 CCCCC(=O)C(C)=O D90861 [0,1,1,0,0,0|2,0,0]=4 50 B8R1.23 CC(=O)N1CC(N)C1 H10230 [0,1,0,0,1,0|2,0,0]=4 51 B8R1.38 CNC(=O)C1CCC1 D76479 [0,1,0,0,1,0|1,0,1]=4 52 B10R1.15 COC(=O)C1=CCCNC1 F14151 [0,1,0,0,0,1|1,0,1]=4 53 B10R1.27 O=C(CCl)NC1=NC=CS1 S12412 [0,1,0,0,0,1|0,0,2]=4 54 B10R1.11 CCOC(=O)C1=CCCO1 D88118 [0,2,0,0,0,0|1,1,0]=4 55 B10R1.11 CCOC(=O)C1SCCS1 D89994 [0,2,0,0,0,0|1,0,1]=4 56 B10R1.149 COC(=O)C1=C(N)CCC1 S10370 [0,2,0,0,0,0|2,0,0]=4