0 B7R1.2 CC1=CC(=O)NN1 M2903 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 O=C1C=CC(=O)N1 M17760 [0,0,0,0,0,0|1,0,2]=3 2 B7R1.2 O=C1CCC(=O)C1 C13983 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.2 O=C1CNC(=O)O1 O13300 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.2 O=C1CSC(=O)N1 T0472 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,0,0,0,0,0|2,0,2]=4 9 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,0,0,0|1,0,0]=2 10 B6R1.2 O=C1C=CSN1 S19312 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 O=C1CCSC1 T11319 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 O=C1NCCO1 O11604 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,0,0,0|1,0,2]=4 16 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,0,0,0|1,0,2]=4 17 B8R1.1 O=CC1=CC=C(Br)O1 B8007 [0,1,0,0,0,0|1,0,2]=4 18 B8R1.1 O=CC1=CC=C(I)O1 I9961 [0,1,0,0,0,0|1,0,2]=4 19 B8R1.18 C=C1CC(=O)OC1=O I0486 [0,1,0,0,0,0|0,0,1]=2 20 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.18 CN1CC(=O)N=C1N C5652 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.18 NN1CC(=O)NC1=O A4941 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [0,1,0,0,0,0|0,0,0]=1 24 B8R1.50 CC1=C(O)COC1=O H15815 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.50 O=C1CCC(=O)N1Br B12482 [0,1,0,0,0,0|1,0,0]=2 26 B8R1.50 O=C1CCC(=O)N1Cl C18802 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.50 O=C1CCC(=O)N1O H0382 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.51 N=[Pt]1(=N)OCC(=O)O1 G17928 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CCOC(=O)CN A14488 [0,0,1,0,0,0|2,0,1]=4 30 B6R0.2 CC(C)=CC(=O)O D18784 [0,0,1,0,0,0|3,0,0]=4 31 B6R0.4 C=CCCC(=N)N P16910 [0,0,1,0,0,0|3,0,0]=4 32 B6R0.4 NCCCC(=O)O A19243 [0,0,1,0,0,0|1,0,1]=3 33 B6R0.4 O=C(Cl)CCCCl C18875 [0,0,1,0,0,0|2,0,1]=4 34 B8R1.3 CN1CCC(=O)CC1 M3185 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.3 O=C1CCC(O)CC1 H15821 [0,0,0,0,0,1|1,0,2]=4 36 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,0,0,0,0,1|1,0,2]=4 37 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,0,0,0,0,1|2,0,0]=3 38 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,0,0,0,0,1|2,0,0]=3 39 B5R0.1 CCCC(=O)O B18853 [1,0,1,0,0,0|0,0,1]=3 40 B5R0.1 CNCC(=O)O S18803 [1,0,1,0,0,0|1,0,1]=4 41 B5R0.3 COC(=O)CN G18901 [1,0,1,0,0,0|1,0,1]=4 42 B7R0.4 C=CCNCC(=O)O A18405 [0,1,1,0,0,0|1,0,0]=3 43 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,1,1,0,0,0|1,0,0]=3 44 B7R0.6 CC(=O)CNC(C)=O O12675 [0,1,1,0,0,0|2,0,0]=4 45 B7R1.4 C=C1CCOC1=O M11697 [1,1,0,0,0,0|0,0,2]=4 46 B7R1.4 CC1OCCC1=O M5424 [1,1,0,0,0,0|2,0,0]=4 47 B7R1.4 N[C@@H]1CONC1=O C5656 [1,1,0,0,0,0|2,0,0]=4 48 B7R1.4 O=C1OCCC1Br B11067 [1,1,0,0,0,0|0,0,1]=3 49 B9R1.10 O=C1CCS(=O)(=O)CC1 D11513 [0,1,0,0,0,1|2,0,0]=4 50 B9R1.10 O=C1CCS(=O)(=O)CC1 D11513 [0,1,0,0,0,1|2,0,0]=4 51 B9R1.3 CC1C(=O)CCCC1=O D3659 [0,1,0,0,0,1|1,0,0]=3 52 B9R1.35 O=C1CCC(C(=O)O)N1 P19419 [0,2,0,0,0,0|1,0,1]=4 53 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,2,0,0,0,0|1,0,1]=4 54 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,2,0,0,0,0|1,0,1]=4 55 B9R1.132 CCC1=C(O)C(=O)CC1 E13443 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.38 CC1(C)NC(=O)NC1=O D4991 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.38 CC1(C)OC(=O)NC1=O D5670 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.38 CC1(C)OC(=O)NC1=O D5670 [0,2,0,0,0,0|2,0,0]=4 59 B7R1.3 O=C1C=CCCC1 C17765 [0,0,1,1,0,0|2,0,0]=4 60 B7R1.18 O=C(O)C1CCN1 A19377 [0,0,1,1,0,0|1,0,1]=4 61 B7R1.18 O=C(O)C1CNC1 A18761 [0,0,1,1,0,0|2,0,0]=4 62 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,1,1,0,0|2,0,0]=4 63 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,1,1,0,0|2,0,0]=4 64 B7R1.18 O=C(O)[C@@H]1CCN1 A17680 [0,0,1,1,0,0|1,0,1]=4 65 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,1,1,0,0|1,0,1]=4 66 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,1,1,0,0|1,0,1]=4 67 B7R1.18 O=C(O)[C@H]1CCN1 A7252 [0,0,1,1,0,0|1,0,1]=4 68 B9R2.25 O=C1OC(=O)C2CC12 O19294 [0,0,0,1,0,1|0,0,0]=2 69 B5R0.5 CC(=O)C(C)O A1243 [0,0,1,0,1,0|0,0,2]=4 70 B5R1.2 O=C1CCC1 C17719 [1,0,0,0,1,0|0,0,1]=3 71 B5R1.2 O=C1CCN1 A18280 [1,0,0,0,1,0|1,0,0]=3 72 B5R1.2 O=C1COC1 O19064 [1,0,0,0,1,0|1,0,1]=4