0 B6R0.1 CCOC(=O)CN CS-W020007 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 COC(=O)CC#N CS-W016657 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 COC(=O)CCS CS-0000049 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 COC(=O)OCCl CS-0067504 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 COC(C)CCO CS-W013686 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 COCC(=O)NN CS-W005634 [0,0,0,0,0,0|2,1,0]=3 6 B5R0.1 CC(=O)CCO CS-0044370 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CC(=O)\C=N\O CS-0047592 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 CNCC(=N)O CS-W011178 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 COC[C@@H](C)O CS-0019059 [1,0,0,0,0,0|0,1,2]=4 11 B5R0.1 N#CCC(N)=O CS-0006665 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.3 CNC(=O)CBr CS-0023001 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.3 CNC(=O)CCl CS-W007769 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.3 COC(=O)CN CS-W018508 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.3 COC(=O)NN CS-0015902 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,1,0,0,0,0|1,0,1]=3 21 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,1,0,0,0,0|0,1,1]=3 23 B7R0.5 CCOC(=O)C(C)Br CS-0009888 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.7 COCC(N)COC CS-W005488 [0,1,0,0,0,0|1,1,1]=4 26 B7R0.10 CCC(Br)C(=O)OC CS-W017174 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,1,0,0|1,1,0]=3 36 B7R1.4 NN1CCCC1=O CS-D0019 [0,0,0,1,0,0|3,0,0]=4 37 B4R0.1 CC(=O)NN CS-D1403 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.1 CCC(=N)O CS-W016688 [2,0,0,0,0,0|1,0,0]=3 39 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,1]=4 40 B4R0.1 COC(=N)N CS-W019574 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.1 CSC(=N)N CS-0011749 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.1 NCC(N)=O CS-W019695 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035190 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.2 CC(=O)\C=C(\C)[O-] CS-W020773 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.3 COC(C)C(=O)O CS-W004806 [1,1,0,0,0,0|0,1,0]=3 48 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.4 CC(=O)OCCBr CS-W007598 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.4 CCCOC(N)=O CS-W019060 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|0,1,0]=3 52 B6R0.9 CCN(C=O)CC CS-W009551 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.2 COC(=O)C(N)C(C)O CS-W022797 [0,2,0,0,0,0|1,0,0]=3 54 B8R0.2 COC(=O)[C@H](N)C(C)C CS-0012693 [0,2,0,0,0,0|1,0,0]=3 55 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C CS-W010793 [0,2,0,0,0,0|1,0,0]=3 56 B8R0.5 CC(C)OC(=O)OCCl CS-W016293 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.5 CCOC(=O)CC(=N)S CS-W005154 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [0,2,0,0,0,0|1,0,1]=4 59 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,2,0,0,0,0|0,1,0]=3 60 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.3 CCOC(=O)[C@H](N)CO CS-W022750 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,2,0,0,0,0|1,0,1]=4 63 B8R0.20 COC(=O)C(OC)OC CS-W011071 [0,2,0,0,0,0|0,1,0]=3 64 B6R1.2 O=C1CCSC1 CS-W011310 [1,0,0,1,0,0|0,0,0]=2 65 B6R1.2 O=C1OCCO1 CS-0017611 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.1 C1CSCCN1 CS-W007359 [1,0,0,1,0,0|1,0,1]=4 68 B6R1.6 CNC1COC1 CS-0040193 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.5 NC1CCCNC1=O CS-D0182 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.38 COC(=O)C1CNC1 CS-D1541 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.38 COC(=O)C1COC1 CS-0045513 [0,1,0,1,0,0|0,1,0]=3 79 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|2,0,0]=4