0 B10R1.10 NCCN1CCNC(=O)C1 CS-0506389 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.2 CCC1CC(=O)CCN1 CS-0443395 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.8 CCCC1CCCCN1 CS-0152399 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.8 CNCC1CCCCC1 CS-0447606 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 COC[C@H]1CNCCO1 CS-0150647 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 NCCC1CCCNC1 CS-0106330 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 OCCC1OCCCO1 CS-0590832 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 CC(=O)OCCCCCCl CS-0154996 [0,0,1,0,0,0|3,0,0]=4 8 B9R0.2 NCCSSCCC(=O)O CS-0115369 [0,0,1,0,0,0|3,0,0]=4 9 B11R2.36 O=C1CCN2CCCC2C1 CS-0231475 [0,0,0,1,0,0|2,0,0]=3 10 B11R2.1478 O=C1CNCC2(CCC2)N1 CS-0050718 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.7 CCOC1CCC(=O)N1 CS-0527529 [0,0,0,0,1,0|2,0,0]=3 12 B9R1.33 NCCN1CCCC1=O CS-0054196 [0,0,0,0,1,0|2,0,0]=3 13 B8R0.4 C#CCCCCCCC CS-0204456 [1,0,1,0,0,0|1,0,1]=4 14 B8R0.4 C=CCCCCCCCl CS-0158000 [1,0,1,0,0,0|2,0,0]=4 15 B8R0.7 CCCC\C=C\C(=O)O CS-0161412 [1,0,1,0,0,0|0,0,2]=4 16 B8R0.7 COCCOCC(=O)O CS-0527874 [1,0,1,0,0,0|2,0,0]=4 17 B8R0.7 NCCCNCC(=O)O CS-0119868 [1,0,1,0,0,0|2,0,0]=4 18 B8R0.7 NCCOCCC(=O)O CS-0114519 [1,0,1,0,0,0|2,0,0]=4 19 B8R0.1 CCOC(=O)CCCO CS-0539430 [1,0,1,0,0,0|2,0,0]=4 20 B8R0.1 CCOC(=O)CCSC CS-W010980 [1,0,1,0,0,0|2,0,0]=4 21 B8R0.5 CCOC(C)SC(C)=O CS-0160359 [1,0,1,0,0,0|1,1,0]=4 22 B8R1.2 CCC1CNCCO1 CS-0184012 [2,0,0,0,0,0|1,0,1]=4 23 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [2,0,0,0,0,0|2,0,0]=4 24 B10R0.6 CCCCCC(O)CC(=O)O CS-0059460 [0,1,1,0,0,0|0,0,0]=2 25 B10R0.6 CCCCC[C@H](O)CC(=O)O CS-0162037 [0,1,1,0,0,0|0,0,0]=2 26 B10R0.97 CC(C)CCCCCC(=O)O CS-0265355 [0,1,1,0,0,0|0,0,0]=2 27 B10R0.1 CCOC(=O)CCCCCN CS-W005831 [0,1,1,0,0,0|2,0,0]=4 28 B10R0.1 CCOC(=O)COCCCO CS-0621207 [0,1,1,0,0,0|2,0,0]=4 29 B10R0.108 CCCC(=O)OCC(O)CO CS-0331773 [0,1,1,0,0,0|1,0,0]=3 30 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 CS-0098278 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.61 C[C@@H]1CNCC[C@@H]1C(=O)O CS-0502872 [0,0,1,1,0,0|1,0,0]=3 32 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CS-0130674 [0,0,1,1,0,0|1,0,0]=3 33 B10R1.61 O=C(O)C1CCNCC1F CS-0448418 [0,0,1,1,0,0|2,0,0]=4 34 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O CS-0137641 [0,0,1,1,0,0|2,0,0]=4 35 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CS-0771398 [0,0,1,1,0,0|2,0,0]=4 36 B10R1.348 O=C(O)C1CCCOCC1 CS-0136868 [0,0,1,1,0,0|1,0,0]=3 37 B10R1.19 NCC1CCCCNC1=O CS-0530567 [0,0,1,1,0,0|2,0,0]=4 38 B10R1.227 CCC1(CC(=O)O)CCC1 CS-0446494 [0,0,1,1,0,0|2,0,0]=4 39 B10R2.534 O=C1CCNC2(CC2)C1 CS-0506033 [1,0,0,1,0,0|2,0,0]=4 40 B10R2.534 O=C1COCC2(CC2)N1 CS-0088418 [1,0,0,1,0,0|2,0,0]=4 41 B10R2.2 O=C1CC2CNCC2C1 CS-0049655 [0,0,0,1,1,0|2,0,0]=4 42 B10R2.2 [C@H]12C=CC[C@H]1OC(=O)C2 CS-0510555 [0,0,0,1,1,0|0,0,2]=4 43 B10R2.332 O=C1CCC2(CNC2)N1 CS-0052145 [0,0,0,1,1,0|2,0,0]=4 44 B10R2.190 O=C1CCOC12COC2 CS-0343272 [0,0,0,1,1,0|2,0,0]=4 45 B10R2.190 O=C1NCCC12CNC2 CS-0052138 [0,0,0,1,1,0|2,0,0]=4 46 B12R2.1081 O=C1COCC2CNCCN12 CS-0183394 [0,1,0,1,0,0|2,0,0]=4 47 B12R2.1081 O=C1COC[C@H]2CNCCN12 CS-0053103 [0,1,0,1,0,0|2,0,0]=4 48 B12R2.24 O=C1CCN2CCOCC2C1 CS-0309396 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.5121 O=C1CCCC2(CCCC2)C1 CS-0567280 [0,1,0,1,0,0|1,0,0]=3 50 B12R2.5121 O=C1COCC2(CCCC2)N1 CS-0479006 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [1,0,0,0,1,0|0,0,0]=2 52 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [1,0,0,0,1,0|1,0,0]=3 53 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [1,0,0,0,1,0|2,0,0]=4 54 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [1,0,0,0,1,0|2,0,0]=4 55 B8R1.11 COC1CCCC1=O CS-0432948 [1,0,0,0,1,0|1,0,0]=3