0 B9R1.35 CC1=CN=C(C(=O)O)N1 CS-W019454 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 N=C1NC(C(=O)O)CS1 CS-0044002 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0028271 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-0028245 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-W009077 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 O=C1NC=C(C(=O)O)N1 CS-W009540 [0,0,0,0,0,0|1,0,2]=3 7 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.7 N=C(N)C1CCCN1 CS-WAA0204 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 O=C(O)C1=CN=CN1 CS-W007695 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [1,0,0,0,0,0|0,0,1]=2 13 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.14 COC(=O)C1=CNC(=O)N1 CS-0098094 [0,1,0,0,0,0|1,0,2]=4 16 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 CS-0038413 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O CS-0030793 [0,1,0,0,0,0|0,0,0]=1 18 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 CS-W023143 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.9 CC(=O)NNC(=O)CBr CS-M3073 [0,0,1,0,0,0|3,0,0]=4 20 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [0,0,0,0,1,0|2,0,1]=4 21 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [0,0,0,0,1,0|2,0,1]=4 22 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 CS-0049675 [0,0,0,0,0,1|1,0,2]=4 23 B10R1.13 O=C1CCC(C(=O)O)=NN1 CS-0044466 [0,0,0,0,0,1|0,0,1]=2 24 B10R1.13 O=C1CCC(C(=O)O)NC1 CS-M3492 [0,0,0,0,0,1|0,0,0]=1 25 B10R1.13 [C@H]1(N)CC[C@H](C(=O)O)CC1 CS-W008392 [0,0,0,0,0,1|2,0,1]=4 26 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 CS-W018258 [0,0,0,0,0,1|0,0,0]=1 27 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS-0019355 [0,0,0,0,0,1|0,0,3]=4 28 B7R0.4 CNCCCC(=O)O CS-0096860 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [1,0,1,0,0,0|0,0,2]=4 30 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [1,0,1,0,0,0|1,0,1]=4 32 B7R0.5 NCCC(F)C(=O)O CS-0094454 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [1,0,1,0,0,0|0,1,0]=3 34 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [1,0,1,0,0,0|0,0,1]=3 35 B7R0.5 [C@H](N)(CC#C)C(=O)O CS-W006064 [1,0,1,0,0,0|0,0,2]=4 36 B7R0.5 [C@H](N)(COC)C(=O)O CS-W006151 [1,0,1,0,0,0|1,0,1]=4 37 B7R1.1 OCC1CCCN1 CS-W007622 [2,0,0,0,0,0|0,0,2]=4 38 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [2,0,0,0,0,0|0,0,1]=3 39 B9R0.47 CCCCC[C@H](N)C(=O)O CS-W018819 [0,1,1,0,0,0|1,0,1]=4 40 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [0,1,1,0,0,0|2,0,0]=4 41 B9R1.11 COC(=O)[C@@H]1CCNC1 CS-B0685 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.11 [C@H]1(C(=O)OC)CCNC1 CS-W005089 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.19 O=P(O)(O)C1CCCN1 CS-WAA0163 [1,1,0,0,0,0|1,0,1]=4 44 B9R1.41 CC1CCCC1C(=O)O CS-0047145 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.163 CC1(C(=O)O)CCNC1 CS-0091785 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.163 CC1(C(=O)O)CCNC1 CS-0094056 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.163 C[C@]1(C(=O)O)CCCN1 CS-M0572 [1,1,0,0,0,0|0,0,1]=3 48 B9R1.163 NC1(C(=O)O)CCOC1 CS-B0090 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.163 O=C(O)C1(F)CCCC1 CS-0054991 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.82 C=C1CC(C(=O)OC)C1 CS-0046881 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.164 O=C(O)C1CS(=O)(=O)C1 CS-W023028 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 CS-M1591 [0,1,0,0,0,1|1,0,1]=4 53 B11R1.23 COC(=O)C1CCCC(=O)C1 CS-0055069 [0,1,0,0,0,1|1,0,0]=3 54 B11R1.23 COC(=O)C1CCCC(=O)N1 CS-0035474 [0,1,0,0,0,1|0,0,0]=2 55 B11R1.23 COC(=O)C1CCNC(=O)C1 CS-0043672 [0,1,0,0,0,1|1,0,0]=3 56 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 CS-W023148 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.15 CCOC(=O)C1CNC(=O)C1 CS-W016224 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.44 COC(=O)[C@@H]1CCC(SC)=N1 CS-0035886 [0,2,0,0,0,0|0,1,1]=4 59 B9R1.69 NC1CCC(=O)NC1=O CS-M1823 [0,0,1,1,0,0|1,0,0]=3 60 B9R1.112 N[C@H](CC1CC1)C(=O)O CS-W013449 [0,0,1,1,0,0|1,0,1]=4 61 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 CS-W001398 [1,0,0,1,0,0|1,0,0]=3 62 B11R2.139 O=C1CC2CC(=O)CC2C1 CS-0035677 [0,0,0,1,0,1|2,0,0]=4 63 B11R2.738 O=C1NC2CC1C(O)C2O CS-0037891 [0,1,0,1,0,0|0,0,2]=4 64 B7R1.18 O=C(O)C1CNC1 CS-0067915 [1,0,0,0,1,0|1,0,1]=4 65 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [1,0,0,0,1,0|0,0,0]=2 66 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [0,0,0,0,2,0|1,0,1]=4 67 B9R0.55 CC(=O)CCCOC(C)=O CS-0089169 [0,0,1,0,0,1|2,0,0]=4 68 B9R1.13 O=C(O)CC1CCOC1 CS-W005250 [1,0,0,0,0,1|2,0,0]=4 69 B9R1.13 O=C(O)C[C@@H]1CCNC1 CS-0052117 [1,0,0,0,0,1|2,0,0]=4