0 B5R0.5 CC(=O)C(C)N CS-0105630 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 CC(=O)C(N)=S CS-0047258 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 CC(C)C(N)=S CS-W011304 [0,0,0,0,0,0|1,1,0]=2 3 B5R0.5 CC(C)S(=O)[O-] CS-M3052 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 O=S([O-])C(F)F CS-0109230 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C=NN(C)C CS-M3085 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 COC(=N)N CS-0114088 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C[C@@H](N)CF CS-0104382 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C[C@H](N)CF CS-0090252 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 OCC(F)F CS-0020170 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.3 CNC(C)C(C)C CS-W000156 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.3 COC(=O)C(=N)N CS-0038769 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,1,0,0,0,0|0,0,0]=1 17 B6R0.7 CC(C)(Br)C(=N)O CS-W004757 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.7 CC(C)(C)C(=O)[O-] CS-W022935 [0,1,0,0,0,0|0,0,1]=2 19 B6R0.7 CC(C)(C)[S@@](N)=O CS-B0438 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.7 CC(C)(C)[S@](N)=O CS-W018485 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.7 CC(C)(O)C(=N)N CS-0036093 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.7 O=C([O-])C(F)(F)Br CS-W000399 [0,1,0,0,0,0|2,0,1]=4 23 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.11 N=C(N)C1CC1 CS-W022622 [0,0,0,1,0,0|2,0,0]=3 25 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0015107 [0,0,0,0,0,1|2,0,1]=4 26 B6R0.2 CC(C)=CB(O)O CS-0046252 [0,0,0,0,0,1|1,0,2]=4 27 B6R0.2 CC(C)NC(C)C CS-B1708 [0,0,0,0,0,1|2,0,1]=4 28 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,0,0,0,0,1|1,0,0]=2 29 B3R0.2 CB(O)O CS-W018525 [2,0,0,0,0,0|1,0,1]=4 30 B3R0.2 CC(O)=S CS-0015317 [2,0,0,0,0,0|0,1,0]=3 31 B3R0.2 O=C([O-])[O-] CS-0015156 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 C#CCC(=O)O CS-W004784 [1,1,0,0,0,0|0,0,1]=3 33 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.1 COC[C@@H](C)N CS-W019198 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.1 C[C@H](N)CCO CS-W019851 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.1 C[C@H](O)CCO CS-W016671 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.3 CC(CN)CCl CS-0038279 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.3 CCC(C)NN CS-0035425 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.3 CO[C@H](C)CO CS-W011349 [1,1,0,0,0,0|0,0,1]=3 40 B5R0.3 OCC(O)CO CS-B1784 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.3 OC[C@@H](O)CF CS-0022575 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.3 OC[C@H](O)CF CS-0022569 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [1,1,0,0,0,0|0,0,2]=4 44 B5R0.4 CC(C)(F)CO CS-D1107 [1,1,0,0,0,0|0,0,1]=3 45 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,1,0,0,0,1|1,0,0]=3 46 B7R0.9 CC(C)(C)CB(O)O CS-0063198 [0,1,0,0,0,1|1,0,1]=4 47 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,1,0,0,0,1|0,0,0]=2 48 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [0,2,0,0,0,0|1,0,0]=3 51 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.5 NCCC(F)C(=O)O CS-0094454 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.5 [C@H](N)(CC#C)C(=O)O CS-W006064 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.5 [C@H](N)(COC)C(=O)O CS-W006151 [0,2,0,0,0,0|1,0,0]=3 57 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,2,0,0,0,0|0,0,0]=2 58 B7R0.10 COC(=O)C(F)CO CS-0027052 [0,2,0,0,0,0|1,0,0]=3 59 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|1,0,0]=3 60 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.13 C=CC(C)(C)C(=O)O CS-W006345 [0,2,0,0,0,0|0,0,0]=2 62 B7R0.13 CC(C)(C#N)C(=O)O CS-0066959 [0,2,0,0,0,0|0,0,0]=2 63 B7R0.13 COC(C)(C)C(=O)O CS-0046912 [0,2,0,0,0,0|0,0,0]=2 64 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [0,2,0,0,0,0|0,0,0]=2 65 B7R0.13 C[C@](O)(CBr)C(=O)O CS-W019154 [0,2,0,0,0,0|0,0,0]=2 66 B7R0.13 NCC(F)(F)C(=O)O CS-0089610 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.14 CC(C)(C)C(=O)NN CS-0086980 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.14 [C@H](N)(CO)C(C)(C)C CS-W008332 [0,2,0,0,0,0|1,0,1]=4 69 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|1,0,0]=3 70 B5R1.3 NNC1CC1 CS-B1049 [1,0,0,1,0,0|2,0,0]=4 71 B5R1.3 O=CC1CC1 CS-W013759 [1,0,0,1,0,0|0,0,0]=2 72 B5R1.3 OC[C@H]1CO1 CS-0001461 [1,0,0,1,0,0|1,0,1]=4 73 B5R1.4 CC1CC1N CS-0047191 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,0,0,1,0,1|1,0,1]=4 75 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,1|1,0,0]=3 76 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,0,0,1,0,1|2,0,0]=4 77 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [0,0,0,1,0,1|1,0,0]=3 78 B7R1.20 O=C(O)CC1CC1 CS-W011326 [0,0,0,1,0,1|0,0,0]=2 79 B7R1.4 CN1CCNC1=O CS-W005507 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.4 C[C@H]1COC[C@@H]1O CS-0037574 [0,1,0,1,0,0|0,0,2]=4 82 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.18 O=C(O)C1CNC1 CS-0067915 [0,1,0,1,0,0|0,0,0]=2 85 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [0,1,0,1,0,0|0,0,0]=2 86 B7R1.19 NC(=O)C1(N)CC1 CS-0036086 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.22 NNC(=O)C1CC1 CS-D0255 [0,1,0,1,0,0|1,0,0]=3 88 B7R0.6 C(C(C)=O)=CN(C)C CS-W016611 [0,0,0,0,0,2|2,0,0]=4