0 B8R1.7 CC(=O)C1=CNC=N1 9304AB [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 CC(=O)C1=CNN=C1 1947AB [0,0,0,0,0,0|4,0,0]=4 2 B8R1.7 CC(=O)C1=CSC=N1 W5893 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.7 CC(=O)C1=NC=CN1 5223AE [0,0,0,0,0,0|1,0,2]=3 4 B8R1.7 CC(N)C1=NC=CS1 V9472 [0,0,0,0,0,0|1,0,3]=4 5 B8R1.7 CC(N)C1=NC=CS1 W6267 [0,0,0,0,0,0|1,0,3]=4 6 B8R1.7 N1N=CC(C(=O)O)=N1 Y1161 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 NC(=O)C1=CC=CS1 X6987 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.7 NC(=O)C1=CN=CS1 Y5540 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.7 NC(=O)C1=NC=CO1 4142AC [0,0,0,0,0,0|1,1,2]=4 10 B8R1.7 NC(=O)C1CCCO1 5362AC [0,0,0,0,0,0|2,1,1]=4 11 B8R1.7 O=C(Cl)N1CCCC1 0711AQ [0,0,0,0,0,0|4,0,0]=4 12 B8R1.7 O=C(O)C1=CC=NS1 0659AA [0,0,0,0,0,0|3,0,1]=4 13 B8R1.7 O=C(O)C1NCCS1 W7647 [0,0,0,0,0,0|1,0,2]=3 14 B8R1.7 O=C([O-])C1=CC=CS1 Z2610 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.1 C=CC1=NC=CS1 Y1855 [1,0,0,0,0,0|0,0,3]=4 16 B7R1.1 CCC1=NCCN1 5611AL [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 CNC1=NC=CS1 W7369 [1,0,0,0,0,0|1,0,2]=4 18 B7R1.1 COC1=NCCC1 7443AB [1,0,0,0,0,0|2,0,0]=3 19 B7R1.1 CSC1=NC=CS1 R552 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.1 O=CC1=CC=NS1 7399AB [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 O=CC1=CCCC1 Z4945 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 O=CC1=CSN=N1 2643AB [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 O=CC1=NC=CS1 0841AA [1,0,0,0,0,0|0,0,2]=3 24 B9R1.11 CNC(=O)[C@@H]1CCCN1 V5238 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.11 COC(=O)C1=CNN=N1 6733AB [0,1,0,0,0,0|3,0,0]=4 26 B9R1.11 COC(=O)C1=COC=N1 8746AA [0,1,0,0,0,0|2,0,1]=4 27 B9R1.11 COC(=O)C1=CSC=N1 Y5483 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.11 COC(=O)C1=NC=CN1 W3783 [0,1,0,0,0,0|1,0,2]=4 29 B9R1.11 COC(=O)C1CCCN1 Z5141 [0,1,0,0,0,0|1,0,2]=4 30 B9R1.11 COC(=O)C1NCCS1 Y8749 [0,1,0,0,0,0|0,0,2]=3 31 B9R1.11 O=C(CBr)C1=CC=CS1 Y6915 [0,1,0,0,0,0|1,0,2]=4 32 B9R1.11 O=C(CBr)C1=NC=CS1 W5467 [0,1,0,0,0,0|0,0,2]=3 33 B9R1.11 O=C(CBr)N1CCCC1 2846AF [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 CC(=O)C1=CSC(C)=N1 7831AD [0,1,0,0,0,0|2,0,1]=4 35 B9R1.35 CC(=O)C1=CSC(N)=N1 X8554 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.35 CC(=O)C1=NC(C)=CS1 0755AQ [0,1,0,0,0,0|0,0,2]=3 37 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [0,1,0,0,0,0|0,0,2]=3 38 B9R1.35 CC(=O)C1=NOC(C)=C1 1733AB [0,1,0,0,0,0|2,0,1]=4 39 B9R1.35 CC(=O)N1CCC(O)C1 1505AB [0,1,0,0,0,0|3,0,0]=4 40 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4794AJ [0,1,0,0,0,0|3,0,0]=4 42 B9R1.35 CC(=O)N1CC[C@H](O)C1 V9420 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.35 CC1=CN=C(C(=O)O)S1 X0108 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.35 CC1=CSC(C(=O)O)=N1 X0105 [0,1,0,0,0,0|1,0,2]=4 45 B9R1.35 O=C(O)C1=NC=C(Br)S1 Y4853 [0,1,0,0,0,0|1,0,2]=4 46 B9R1.41 CC(=O)C1=C(C)N=CS1 4928AB [0,1,0,0,0,0|2,0,1]=4 47 B9R1.41 CC(=O)C1=NC=CN1C 3329AC [0,1,0,0,0,0|1,0,2]=4 48 B9R1.41 CC(=O)N1CCCC1=O 4742AL [0,1,0,0,0,0|3,0,0]=4 49 B7R0.4 CC(=O)CCCCCl D718 [0,0,1,0,0,0|2,0,1]=4 50 B7R0.4 CCCCSC(C)=O 3195AL [0,0,1,0,0,0|3,0,0]=4 51 B7R0.4 NC(=O)CSCCO 6778AD [0,0,1,0,0,0|2,0,1]=4 52 B7R0.15 CCC(CC)C(C)=O 6697AE [0,0,1,0,0,0|2,0,1]=4 53 B7R1.18 CC(=O)C1CCC1 9513AD [0,0,0,0,1,0|1,0,1]=3 54 B7R1.18 O=C(O)C1CCN1 X2014 [0,0,0,0,1,0|1,0,2]=4 55 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [0,0,0,0,1,0|1,0,2]=4 56 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [0,0,0,0,1,0|1,0,2]=4 57 B9R1.6 CC(=O)C1=CC=NC=N1 W6021 [0,0,0,0,0,1|1,0,2]=4 58 B9R1.6 CC(=O)C1=CC=NN=C1 W6606 [0,0,0,0,0,1|2,0,1]=4 59 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [0,0,0,0,0,1|2,0,0]=3 60 B9R1.6 CC(=O)C1=CN=CN=C1 X8651 [0,0,0,0,0,1|2,0,1]=4 61 B9R1.6 CC(=O)C1=NC=CC=N1 7575AB [0,0,0,0,0,1|1,0,2]=4 62 B9R1.6 CC(=O)C1CCNCC1 W9267 [0,0,0,0,0,1|2,0,1]=4 63 B9R1.6 O=C(O)C1=CCCCO1 6288AJ [0,0,0,0,0,1|2,1,0]=4 64 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,0,0,0,0,1|2,0,1]=4 65 B9R1.6 O=C(O)C1=COCCC1 2840AE [0,0,0,0,0,1|2,1,0]=4 66 B9R1.6 O=C(O)C1CSCCN1 W4390 [0,0,0,0,0,1|1,0,2]=4 67 B9R1.6 O=C(O)C1CSCCN1 Z5417 [0,0,0,0,0,1|1,0,2]=4 68 B9R1.13 CC(=O)NC1=NNC=C1 V5455 [0,0,0,0,0,1|2,0,1]=4 69 B6R0.4 CCC#CC(C)=O 6057AL [1,0,1,0,0,0|1,0,1]=4 70 B6R0.4 CCCSC(C)=O R568 [1,0,1,0,0,0|1,0,0]=3 71 B6R0.6 C\C=C/CCCO 7448AL [1,0,1,0,0,0|1,1,0]=4 72 B6R0.3 CC(=O)C(=O)CBr W6757 [1,0,1,0,0,0|1,1,0]=4 73 B6R0.3 CCC(=O)C(C)=O 7386AF [1,0,1,0,0,0|0,1,0]=3 74 B6R0.9 CC=C(CC)CC 6043AL [1,0,1,0,0,0|2,0,0]=4 75 B6R1.2 CC1=NCCN1 5706AL [2,0,0,0,0,0|1,0,0]=3 76 B6R1.2 CC1=NCCS1 5709AL [2,0,0,0,0,0|0,0,0]=2 77 B6R1.2 N=C1CCCS1 V6112 [2,0,0,0,0,0|2,0,0]=4 78 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [0,1,1,0,0,0|2,0,0]=4 79 B8R0.7 CCCC\C=C\C(C)=O 6146AL [0,1,1,0,0,0|2,0,0]=4 80 B8R0.28 CC(=O)\C=C\CC(C)C 2964AL [0,1,1,0,0,0|2,0,0]=4 81 B8R0.3 CCCC(=O)C(=O)OC 8222AL [0,1,1,0,0,0|1,1,0]=4 82 B8R0.3 CCOC(=O)C(=O)CC W3459 [0,1,1,0,0,0|1,1,0]=4 83 B8R1.1 CC1=CSC(C=O)=N1 Y7472 [1,1,0,0,0,0|0,0,2]=4 84 B8R1.23 CC(=O)N1CC(O)C1 Z8057 [0,1,0,0,1,0|2,0,0]=4 85 B8R1.38 COC(=O)C1CCC1 9430AE [0,1,0,0,1,0|1,0,1]=4 86 B8R1.38 COC(=O)C1CCN1 3825AJ [0,1,0,0,1,0|0,0,2]=4 87 B8R1.38 O=C(CCl)N1CCC1 7072AE [0,1,0,0,1,0|2,0,0]=4 88 B10R1.15 COC(=O)C1=CCCCC1 9647AA [0,1,0,0,0,1|2,0,0]=4 89 B10R1.15 COC(=O)C1=CCNCC1 6880AJ [0,1,0,0,0,1|2,0,0]=4 90 B10R1.27 O=C(CBr)NC1=NC=CS1 8942AE [0,1,0,0,0,1|0,0,2]=4 91 B10R1.54 CC(=O)NC1=NC(C)=CS1 W8155 [0,1,0,0,0,1|0,0,2]=4 92 B10R1.54 CC(=O)NC1=NC=C(I)S1 4363AJ [0,1,0,0,0,1|0,0,2]=4 93 B10R1.11 CCOC(=O)C1=NC=CS1 Y7549 [0,2,0,0,0,0|0,0,2]=4 94 B10R1.11 CCOC(=O)C1SCCS1 0504AB [0,2,0,0,0,0|1,0,1]=4 95 B10R1.14 COC(=O)C1=NC(Br)=CS1 7654AC [0,2,0,0,0,0|0,0,2]=4 96 B10R1.14 COC(=O)C1=NC(C)=CS1 W3177 [0,2,0,0,0,0|0,0,2]=4 97 B10R1.14 COC(=O)C1=NC=C(C)S1 W8488 [0,2,0,0,0,0|0,0,2]=4 98 B10R1.149 COC(=O)C1=C(N)CCC1 7484AB [0,2,0,0,0,0|2,0,0]=4 99 B8R1.22 O=C1C=CCCCC1 X8995 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.2 O=CC1=CCCOC1 Z4103 [1,0,0,0,0,1|1,1,0]=4