0 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.7 CN(C)CCOCCO CS-W011078 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C#CCCCCCO CS-W007441 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.1 ClCCCCCCI CS-0059200 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.1 NCCCCCCN CS-W015964 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.1 OCCCCCCCl CS-B1599 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CC(O)CNCCO CS-M0804 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCCCCB(O)O CS-W018820 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 CN1CCCC(CO)C1 CS-W021353 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.6 CC(=O)C1CCNCC1 CS-W021259 [0,0,0,1,0,0|1,0,2]=4 11 B9R1.6 CC(C)C1COCCN1 CS-W019094 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.6 CC(C)[C@@H]1COCCN1 CS-0098379 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.6 CC(C)[C@H]1COCCN1 CS-0098377 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.13 CC(=O)NC1CCCC1 CS-D0484 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [0,0,0,1,0,0|2,0,1]=4 16 B6R0.6 C#CCCCCO CS-W016659 [2,0,0,0,0,0|0,0,2]=4 17 B6R0.6 ClCCCCCBr CS-W016940 [2,0,0,0,0,0|2,0,0]=4 18 B6R0.6 FCCCCCBr CS-W005161 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.6 ICCCCCI CS-0041009 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.6 NCCNCCO CS-W011299 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.6 OCCOCCCl CS-0016058 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 CNCCC(C)C CS-0039334 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.4 COCCNCCOC CS-D1692 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|1,0,1]=4 25 B10R0.22 CCCCCCOS(C)(=O)=O CS-0099480 [0,2,0,0,0,0|1,0,1]=4 26 B8R1.2 N#CC1CCCCC1 CS-W019522 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.2 NCC1CNCCO1 CS-0046184 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.2 NOC1CCCCO1 CS-W007325 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.2 OCC1CNCCO1 CS-W022892 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.2 [C@H]1(CO)COCCN1 CS-W006711 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.5 CC1CCCCC1=O CS-W011265 [1,0,0,1,0,0|0,0,2]=4 32 B8R1.5 CC1CNCCN1C CS-W005051 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.5 [C@@H]1(N)CCCC[C@H]1O CS-W005443 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.8 BrCCC1OCCO1 CS-W019935 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.8 NCCN1CCCC1 CS-D1372 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.22 CC1CCNCCN1 CS-W022406 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.4 CC1CCCC(N)C1 CS-D0430 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.4 [C@H]1(C)CNC[C@@H](C)N1 CS-W013630 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|0,0,2]=4 44 B8R1.7 CC(O)C1CCNC1 CS-0033515 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.13 CC(C)N1CCC(N)CC1 CS-W021344 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,1,0,1,0,0|1,0,1]=4 48 B10R1.61 CN1CCCCC1C(=O)O CS-W021361 [0,1,0,1,0,0|1,0,1]=4 49 B10R1.61 CN1CCCC[C@H]1C(=O)O CS-W021154 [0,1,0,1,0,0|1,0,1]=4 50 B10R1.95 CC1(C)OCC(CCO)O1 CS-W006546 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.172 NCC1CCCC(CN)C1 CS-0076785 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 CS-D0303 [0,1,0,1,0,0|1,0,1]=4 53 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,1,0,1,0,0|1,0,1]=4 54 B10R2.62 NC1CN2CCC1CC2 CS-M0938 [0,0,0,2,0,0|2,0,0]=4 55 B10R2.109 C=CC1CCC2OC2C1 CS-W013521 [0,0,0,2,0,0|0,0,2]=4