0 B5R0.3 C=C(CCl)CCl CS-W011177 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(CO)CO CS-W009247 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 CC[C@H](N)CO CS-W013745 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 NC(CO)CO CS-W007357 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 CCC(=N)O CS-W016688 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.2 BrCCCBr CS-W020641 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.8 NCC(F)(F)CO CS-B1180 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.9 COC(CBr)OC CS-W018536 [0,1,0,0,0,0|3,0,0]=4 18 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|2,0,0]=3 21 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.6 BrCC1COC1 CS-W018850 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.6 CNC1COC1 CS-0040193 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.6 OCC1CNC1 CS-D1756 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,0,0,1,0,0|2,0,0]=3 27 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,0]=3 28 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|2,0,0]=4 29 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|0,0,2]=4 31 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 CC(=O)CCO CS-0044370 [1,1,0,0,0,0|0,0,2]=4 33 B5R0.1 CC(N)CC#N CS-W020282 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|1,0,0]=3 35 B5R0.1 COC[C@@H](C)O CS-0019059 [1,1,0,0,0,0|0,0,0]=2 36 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|1,0,0]=3 37 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.4 OCC(Cl)(Cl)Cl CS-0013285 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.5 CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|0,0,2]=4 41 B5R0.2 BrCCCCBr CS-W020631 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.2 C#CCCCCl CS-W009550 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.2 C=CCCCO CS-W011355 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.2 COCCC#N CS-0030563 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.2 ICCCCI CS-W004871 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.2 N#CCCCCl CS-D1161 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.2 NOCCON CS-0070013 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.2 CN(C)CC(O)CO CS-W016584 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.5 NC(CCO)C(=O)O CS-W013586 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.7 COCC(N)COC CS-W005488 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,2,0,0,0,0|1,0,1]=4 53 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.14 [C@@H](N)(CO)C(C)(C)C CS-W005274 [0,2,0,0,0,0|2,0,0]=4 55 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|2,0,0]=4 56 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|2,0,0]=4 59 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|1,0,0]=3 60 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|1,0,0]=3 61 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.18 O=C(O)C1COC1 CS-B1344 [0,1,0,1,0,0|1,0,1]=4