0 B4R0.1 CC(=O)NN CS-D1403 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 CC(N)CO CS-W018531 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 CC(O)CBr CS-0063182 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CCC(=N)O CS-W016688 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC[C@H](C)N CS-0084847 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 COC(=N)N CS-W019574 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 CSC(=N)N CS-0011749 [0,0,0,0,0,0|3,1,0]=4 7 B4R0.1 NCC(N)=O CS-W019695 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 NNC(N)=S CS-0008325 [0,0,0,0,0,0|3,1,0]=4 9 B3R0.1 CCCN CS-0079898 [1,0,0,0,0,0|2,0,1]=4 10 B3R0.2 CC(=O)O CS-W019776 [1,0,0,0,0,0|0,0,0]=1 11 B3R0.2 CC(=O)[O-] CS-0082496 [1,0,0,0,0,0|0,0,1]=2 12 B3R0.2 CC(=O)[O-] CS-0084525 [1,0,0,0,0,0|0,0,1]=2 13 B3R0.2 CC(=O)[O-] CS-W002072 [1,0,0,0,0,0|0,0,1]=2 14 B3R0.2 CC(=O)[O-] CS-W004700 [1,0,0,0,0,0|0,0,1]=2 15 B3R0.2 CC(=O)[O-] CS-W020594 [1,0,0,0,0,0|0,0,1]=2 16 B3R0.2 N=C(N)Cl CS-0099930 [1,0,0,0,0,0|3,0,0]=4 17 B3R0.2 O=C([O-])[O-] CS-B1715 [1,0,0,0,0,0|1,0,1]=3 18 B3R0.2 O=C([O-])[O-] CS-W008901 [1,0,0,0,0,0|1,0,1]=3 19 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CC(=O)CCO CS-0044370 [0,1,0,0,0,0|1,0,0]=2 21 B5R0.1 CC(=O)\C=N\O CS-0047592 [0,1,0,0,0,0|1,0,0]=2 22 B5R0.1 CC(N)CCO CS-W004841 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.1 CCOC(C)=N CS-W008601 [0,1,0,0,0,0|2,0,0]=3 24 B5R0.1 COC[C@@H](C)O CS-0019059 [0,1,0,0,0,0|1,0,2]=4 25 B5R0.1 N#CCC(N)=O CS-0006665 [0,1,0,0,0,0|3,0,0]=4 26 B5R0.3 C=C(CCl)CCl CS-W011177 [0,1,0,0,0,0|3,0,0]=4 27 B5R0.3 C=C(CO)CO CS-W009247 [0,1,0,0,0,0|2,0,0]=3 28 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,1,0,0,0,0|2,0,1]=4 29 B5R0.3 CC[C@H](N)CO CS-W013745 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.3 CNC(=O)CBr CS-0023001 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.3 CNC(=O)CCl CS-W007769 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.3 CNC(=S)NN CS-W013678 [0,1,0,0,0,0|2,1,0]=4 33 B5R0.3 COC(=O)CN CS-W018508 [0,1,0,0,0,0|1,0,0]=2 34 B5R0.3 COC(=O)NN CS-0015902 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.3 NC(CO)CO CS-W007357 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.4 CC(C)(N)CO CS-W013743 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.4 CNS(C)(=O)=O CS-W008054 [0,1,0,0,0,0|3,0,0]=4 38 B5R0.4 COS(C)(=O)=O CS-W004702 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.5 CC(C)C(N)=O CS-W019979 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.5 CC(N)C(=O)O CS-0022544 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.5 NC(=O)C(F)F CS-0109914 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.5 O=C([O-])C(=O)[O-] CS-W022571 [0,1,0,0,0,0|2,0,1]=4 44 B2R0.1 CON CS-W020192 [2,0,0,0,0,0|1,0,0]=3 45 B2R0.1 O=[Zr]=O CS-0111468 [2,0,0,0,0,0|1,0,1]=4 46 B4R0.2 C=CCON CS-0010194 [1,1,0,0,0,0|1,0,1]=4 47 B4R0.2 NCCCO CS-W020089 [1,1,0,0,0,0|1,0,1]=4 48 B4R0.3 CS(=O)(=O)[O-] CS-0084592 [1,1,0,0,0,0|1,0,1]=4 49 B4R0.3 CS(C)(=O)=O CS-0017786 [1,1,0,0,0,0|1,0,1]=4 50 B4R0.3 CS(N)(=O)=O CS-W020062 [1,1,0,0,0,0|1,0,1]=4 51 B4R0.3 C[S+](C)(C)=O CS-W018549 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.1 CCOC(=O)CN CS-W020007 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.1 COC(=O)CC#N CS-W016657 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.1 COC(=O)CCS CS-0000049 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.1 COC(=O)OCCl CS-0067504 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.1 COCC(=O)NN CS-W005634 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035190 [0,2,0,0,0,0|1,0,1]=4 59 B6R0.2 CC(=O)\C=C(\C)[O-] CS-W020773 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.3 COC(=O)[C@@H](C)O CS-W016638 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.3 COC(C)C(=O)O CS-W004806 [0,2,0,0,0,0|1,0,1]=4 64 B6R0.4 CC(=O)CCCCl CS-W013569 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.4 CC(=O)OCCBr CS-W007598 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.4 CCCOC(N)=O CS-W019060 [0,2,0,0,0,0|2,0,0]=4 67 B6R0.4 COCCC(=O)O CS-W009112 [0,2,0,0,0,0|2,0,0]=4 68 B6R1.2 O=C1CCSC1 CS-W011310 [0,1,0,1,0,0|1,1,0]=4 69 B6R1.2 O=C1NCCN1 CS-0075560 [0,1,0,1,0,0|2,0,0]=4 70 B6R1.2 O=C1OCCO1 CS-0017611 [0,1,0,1,0,0|1,0,0]=3