0 B4R0.1 CC(=O)NN CS-D1403 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 CC(N)CO CS-W018531 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 CC(O)CBr CS-0063182 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 CCC(=N)O CS-W016688 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 CC[C@H](C)N CS-0084847 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 COC(=N)N CS-W019574 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 CSC(=N)N CS-0011749 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 NCC(N)=O CS-W019695 [0,0,0,0,0,0|2,0,2]=4 8 B3R0.1 CCCN CS-0079898 [1,0,0,0,0,0|1,0,0]=2 9 B3R0.1 N#CCI CS-W016050 [1,0,0,0,0,0|2,0,1]=4 10 B3R0.1 N#CCN CS-W013739 [1,0,0,0,0,0|2,0,1]=4 11 B3R0.1 NCCCl CS-W013617 [1,0,0,0,0,0|2,0,0]=3 12 B3R0.1 NCCF CS-W007788 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.2 CC(=O)O CS-W019776 [1,0,0,0,0,0|1,0,1]=3 14 B3R0.2 CC(=O)[O-] CS-0082496 [1,0,0,0,0,0|1,0,2]=4 15 B3R0.2 CC(=O)[O-] CS-0084525 [1,0,0,0,0,0|1,0,2]=4 16 B3R0.2 CC(=O)[O-] CS-W002072 [1,0,0,0,0,0|1,0,2]=4 17 B3R0.2 CC(=O)[O-] CS-W004700 [1,0,0,0,0,0|1,0,2]=4 18 B3R0.2 CC(=O)[O-] CS-W020594 [1,0,0,0,0,0|1,0,2]=4 19 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CC(=O)CCO CS-0044370 [0,1,0,0,0,0|0,0,2]=3 21 B5R0.1 CC(N)CC#N CS-W020282 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.1 CC(N)CCO CS-W004841 [0,1,0,0,0,0|1,0,0]=2 23 B5R0.1 CCOC(C)=N CS-W008601 [0,1,0,0,0,0|1,0,1]=3 24 B5R0.1 CNCC(=N)O CS-W011178 [0,1,0,0,0,0|1,0,1]=3 25 B5R0.1 COC[C@@H](C)O CS-0019059 [0,1,0,0,0,0|0,0,0]=1 26 B5R0.3 C=C(CCl)CCl CS-W011177 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.3 C=C(CO)CO CS-W009247 [0,1,0,0,0,0|1,0,2]=4 28 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,1,0,0,0,0|1,0,2]=4 29 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,1,0,0,0,0|1,0,0]=2 30 B5R0.3 CC[C@H](N)CO CS-W013745 [0,1,0,0,0,0|1,0,0]=2 31 B5R0.3 CNC(=O)CBr CS-0023001 [0,1,0,0,0,0|1,0,2]=4 32 B5R0.3 CNC(=O)CCl CS-W007769 [0,1,0,0,0,0|1,0,2]=4 33 B5R0.3 COC(=O)CN CS-W018508 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.3 NC(CO)CO CS-W007357 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.4 CC(C)(N)C#N CS-W005215 [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|2,0,0]=3 37 B5R0.4 CC(C)(O)CN CS-W008799 [0,1,0,0,0,0|1,0,0]=2 38 B5R0.4 CNS(C)(=O)=O CS-W008054 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.4 COS(C)(=O)=O CS-W004702 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.4 FC(F)(F)CI CS-D1740 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.4 NCC(F)(F)F CS-W013336 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.4 OCC(Cl)(Cl)Cl CS-0013285 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.5 CC(C)C(N)=O CS-W019979 [0,1,0,0,0,0|1,0,2]=4 44 B5R0.5 CC(N)C(=O)O CS-0022544 [0,1,0,0,0,0|1,0,1]=3 45 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,1,0,0,0,0|1,0,1]=3 46 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|2,0,0]=3 47 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [0,0,0,1,0,0|1,0,0]=2 48 B5R1.3 N#CC1CC1 CS-D1406 [0,0,0,1,0,0|2,0,1]=4 49 B2R0.1 CON CS-W020192 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.2 BrCCCBr CS-W020641 [1,1,0,0,0,0|1,0,0]=3 51 B4R0.2 C=CCON CS-0010194 [1,1,0,0,0,0|0,0,2]=4 52 B4R0.2 NCCCBr CS-W008585 [1,1,0,0,0,0|1,0,0]=3 53 B4R0.2 NCCCCl CS-0015792 [1,1,0,0,0,0|1,0,0]=3 54 B4R0.2 NCCCO CS-W020089 [1,1,0,0,0,0|0,0,0]=2 55 B4R0.3 CS(C)(=O)=O CS-0017786 [1,1,0,0,0,0|1,0,1]=4 56 B4R0.3 C[N+](C)(C)C CS-W013670 [1,1,0,0,0,0|2,0,0]=4 57 B4R0.3 C[S+](C)(C)=O CS-W018549 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.1 CCOC(=O)CN CS-W020007 [0,2,0,0,0,0|0,0,2]=4 60 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,2,0,0,0,0|0,0,1]=3 61 B6R0.1 COC(=O)CCS CS-0000049 [0,2,0,0,0,0|0,0,2]=4 62 B6R0.1 COC(C)CCO CS-W013686 [0,2,0,0,0,0|0,0,0]=2 63 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,2,0,0,0,0|1,0,1]=4 64 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,2,0,0,0,0|1,0,1]=4 65 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [0,2,0,0,0,0|0,0,2]=4 66 B6R0.3 COC(=O)[C@@H](C)O CS-W016638 [0,2,0,0,0,0|0,0,1]=3 67 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,2,0,0,0,0|0,0,1]=3 68 B6R0.3 COC(C)C(=O)O CS-W004806 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.4 CC(=O)CCCCl CS-W013569 [0,2,0,0,0,0|0,0,2]=4 70 B6R0.4 CC(=O)OCCBr CS-W007598 [0,2,0,0,0,0|0,0,2]=4 71 B6R0.4 CC(C)OCCBr CS-W018660 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.4 CN(C)CCCCl CS-W019575 [0,2,0,0,0,0|2,0,0]=4 73 B6R0.4 CNCCC(C)C CS-0039334 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.4 COCCC(=O)O CS-W009112 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.4 N=C(O)NCCO CS-W011301 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.5 NCCC(F)(F)F CS-W004765 [0,2,0,0,0,0|2,0,0]=4 77 B6R0.5 O=S(=O)(O)CCO CS-W019640 [0,2,0,0,0,0|2,0,0]=4 78 B6R0.5 OCCC(F)(F)F CS-W011251 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.8 NCC(F)(F)CO CS-B1180 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.9 CCN(C=O)CC CS-W009551 [0,2,0,0,0,0|1,0,1]=4 81 B6R0.9 COC(CBr)OC CS-W018536 [0,2,0,0,0,0|1,0,0]=3 82 B6R0.7 CC(C)(F)C(=O)O CS-0022383 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.7 C[C@H](N)C(F)(F)F CS-0034931 [0,2,0,0,0,0|2,0,0]=4 84 B6R1.2 BrC1CCNC1 CS-W005728 [0,1,0,1,0,0|1,0,0]=3 85 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,1,0,0|1,0,0]=3 86 B6R1.2 NC1=NCCC1 CS-B0123 [0,1,0,1,0,0|1,0,1]=4 87 B6R1.2 NC1CCOC1 CS-D1564 [0,1,0,1,0,0|1,0,0]=3 88 B6R1.2 O=C1CCSC1 CS-W011310 [0,1,0,1,0,0|0,0,2]=4 89 B6R1.2 O=C1OCCO1 CS-0017611 [0,1,0,1,0,0|1,0,1]=4 90 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,1,0,1,0,0|0,0,0]=2 91 B6R1.3 NCCC1CC1 CS-W006511 [0,1,0,1,0,0|1,0,0]=3 92 B6R1.3 NOCC1CC1 CS-W019324 [0,1,0,1,0,0|2,0,0]=4 93 B6R1.3 OCCC1CC1 CS-W016679 [0,1,0,1,0,0|1,0,0]=3 94 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [0,1,0,1,0,0|0,0,0]=2 95 B6R1.10 CC1(N)COC1 CS-W008280 [0,1,0,1,0,0|1,0,0]=3 96 B6R1.10 CC1(O)CNC1 CS-0007720 [0,1,0,1,0,0|0,0,0]=2 97 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,1,0,1,0,0|1,0,1]=4 98 B6R1.6 BrCC1CCC1 CS-0015296 [0,1,0,1,0,0|1,0,0]=3 99 B6R1.6 BrCC1COC1 CS-W018850 [0,1,0,1,0,0|1,0,0]=3 100 B6R1.6 CNC1CNC1 CS-0043910 [0,1,0,1,0,0|2,0,0]=4 101 B6R1.6 CNC1COC1 CS-0040193 [0,1,0,1,0,0|1,0,0]=3 102 B6R1.6 OCC1CNC1 CS-D1756 [0,1,0,1,0,0|1,0,0]=3 103 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,1,0,1,0,0|1,0,0]=3