0 B6R0.1 CCOC(=N)CC CS-0047019 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CNCC(=O)NC CS-0039124 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 COC(=O)CCO CS-0022864 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 C#CCC(=O)O CS-W004784 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 CCC[C@H](C)N CS-W006528 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 COC[C@@H](C)N CS-W019198 [1,0,0,0,0,0|1,1,1]=4 6 B5R0.2 COCCNN CS-0035845 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 CO[C@H](C)CO CS-W011349 [1,0,0,0,0,0|1,1,1]=4 8 B7R0.3 COC(=O)CCC#N CS-W009546 [0,1,0,0,0,0|1,0,1]=3 9 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.7 C(I)=CC(=O)OCC CS-W006336 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.7 COCC(=O)COC CS-W007070 [0,1,0,0,0,0|0,1,0]=2 13 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.10 COC(=O)C(F)CO CS-0027052 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.3 O=C1CNCCN1 CS-B0039 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.4 CN1CCNC1=O CS-W005507 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.22 NNC(=O)C1CC1 CS-D0255 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.25 COC1(C)CNC1 CS-0035135 [0,0,0,1,0,0|2,0,1]=4 28 B4R0.1 COC(=N)N CS-0114088 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.1 NC(=O)CI CS-0020050 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0015107 [1,1,0,0,0,0|1,0,1]=4 31 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,1,0,0,0,0|1,0,0]=3 32 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [1,1,0,0,0,0|0,1,0]=3 33 B8R0.2 COC(=O)C(C)C(C)=O CS-M0095 [0,2,0,0,0,0|1,0,0]=3 34 B8R0.5 CC(C)OC(=O)OCI CS-0070034 [0,2,0,0,0,0|2,0,0]=4 35 B8R0.5 COCC(=O)OC(C)C CS-M1127 [0,2,0,0,0,0|0,1,0]=3 36 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.24 COC(=O)CS(N)(=O)=O CS-0047196 [0,2,0,0,0,0|1,0,1]=4 38 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|1,0,0]=3 39 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,2,0,0,0,0|1,0,0]=3 40 B6R1.2 O=C1CCNC1 CS-W005267 [1,0,0,1,0,0|1,0,0]=3 41 B6R1.2 O=C1CCNN1 CS-W001151 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.4 CC1CNCC(=O)N1 CS-0038083 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,1,0,1,0,0|1,1,0]=4 45 B8R1.51 CC1(C)CNC(=O)C1 CS-M3328 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.5 CN1CCNCC1=O CS-D0697 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,1,0,1,0,0|1,1,0]=4 51 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,1,0,0|1,1,0]=4 52 B8R1.39 COC(=O)C1(C)CO1 CS-0109314 [0,1,0,1,0,0|0,1,0]=3 53 B8R1.39 COC(=O)C1(N)CC1 CS-0044090 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.39 COC(=O)C1(O)CC1 CS-W005559 [0,1,0,1,0,0|1,0,0]=3 55 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 CS-0036289 [0,0,0,2,0,0|2,0,0]=4