0 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCOC(=O)CN CS-W020007 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.1 COC(=O)CC#N CS-W016657 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.1 COC(=O)CCS CS-0000049 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.1 COC(=O)OCCl CS-0067504 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 COC(C)CCO CS-W013686 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 COCC(=O)NN CS-W005634 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 CC(=O)CCCCl CS-W013569 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.4 CC(=O)OCCBr CS-W007598 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 CCCOC(N)=O CS-W019060 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CN(C)CCCCl CS-W019575 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 CNCCC(C)C CS-0039334 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 COCCC(=O)O CS-W009112 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 N=C(O)NCCO CS-W011301 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.8 C=C(C)C(=O)OCCO CS-W013439 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.11 CCCCC(CC)CO CS-0016002 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.11 COC(CCCCl)OC CS-W008139 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,1,0,0,0,0|1,0,1]=3 22 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 NOC1CCCCO1 CS-W007325 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.5 CC1CCCCC1=O CS-W011265 [0,0,0,1,0,0|1,0,0]=2 27 B8R1.5 NC1CCCNC1=O CS-D0182 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.5 O=C1CCNCC1F CS-0044438 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,0,0,1,0,0|1,0,1]=3 30 B8R1.38 COC(=O)C1CNC1 CS-D1541 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.38 COC(=O)C1COC1 CS-0045513 [0,0,0,1,0,0|1,0,0]=2 32 B5R0.1 CC(=O)CCO CS-0044370 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.1 CCOC(C)=N CS-W008601 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 CNCC(=N)O CS-W011178 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.2 COCCC#N CS-0030563 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.3 CNC(=O)CBr CS-0023001 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.3 CNC(=O)CCl CS-W007769 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.3 COC(=O)CN CS-W018508 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.3 COC(=O)NN CS-0015902 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.2 COC(=O)CC(N)=O CS-W022821 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [1,1,0,0,0,0|0,0,0]=2 44 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [1,1,0,0,0,0|0,0,2]=4 45 B7R0.5 CCOC(=O)C(C)Br CS-0009888 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.10 CCC(Br)C(=O)OC CS-W017174 [1,1,0,0,0,0|0,0,0]=2 48 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [1,1,0,0,0,0|0,0,0]=2 49 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [1,1,0,0,0,0|1,0,0]=3 50 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [1,1,0,0,0,0|0,0,1]=3 52 B7R0.4 CCCCCB(O)O CS-W018820 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,1,0,0,0,0|0,0,1]=3 54 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.5 CCOC(=O)COCCCl CS-W018917 [0,2,0,0,0,0|1,0,0]=3 57 B9R0.8 CCCCC(Br)C(=O)OC CS-M2020 [0,2,0,0,0,0|0,0,0]=2 58 B9R0.34 CCOC(=O)CC(=O)O[K] CS-D1444 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,2,0,0,0,0|0,0,1]=3 60 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC CS-W017143 [0,2,0,0,0,0|0,0,0]=2 62 B9R0.27 CCC(=O)C(F)C(=O)OC CS-M3568 [0,2,0,0,0,0|0,0,1]=3 63 B9R0.27 COC(=O)C(Cl)C(=O)OC CS-W010804 [0,2,0,0,0,0|1,0,1]=4 64 B9R0.27 COC(=O)C(F)C(=O)OC CS-0020165 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,2,0,0,0,0|0,0,1]=3 66 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0019407 [0,2,0,0,0,0|1,0,1]=4 67 B7R1.1 COC1=NCCC1 CS-W022401 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.3 O=C1CCCCN1 CS-W022933 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.3 O=C1CCCOC1 CS-D1576 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.4 NN1CCCC1=O CS-D0019 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.12 O=C(O)C1CC1F CS-W006378 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.18 O=C(O)C1COC1 CS-B1344 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.3 CN1CCCN(C)C1=O CS-W009128 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [0,1,0,1,0,0|0,0,1]=3 79 B9R1.11 O=C(CCl)N1CCCC1 CS-0037280 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [0,1,0,1,0,0|0,0,1]=3 81 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.89 COC1=NCCCCC1 CS-W019476 [0,1,0,1,0,0|1,0,0]=3 83 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [0,0,0,2,0,0|2,0,0]=4