0 B7R0.1 C#CCCCCCO CS-W007441 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 ClCCCCCCI CS-0059200 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 NCCCCCCN CS-W015964 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 OCCCCCCCl CS-B1599 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 C#CCCCCO CS-W016659 [1,0,0,0,0,0|0,0,3]=4 5 B6R0.6 C=CCCCCBr CS-W008939 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.6 ClCCCCCBr CS-W016940 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.6 ClCCNCCCl CS-W020124 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 FCCCCCBr CS-W005161 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 ICCCCCI CS-0041009 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.6 NCCNCCO CS-W011299 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 OCCOCCCl CS-0016058 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.4 COCCNCCOC CS-D1692 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.2 N#CC1CCCCC1 CS-W019522 [0,0,0,1,0,0|1,0,1]=3 16 B8R1.2 N#CC1CCNCC1 CS-0019876 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.2 NOC1CCCCO1 CS-W007325 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.2 O=CN1CCOCC1 CS-W016603 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.5 CC1CCCCC1=O CS-W011265 [0,0,0,1,0,0|0,0,0]=1 21 B8R1.5 CC1CNCCN1C CS-W005051 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.5 NC1CCCNC1=O CS-D0182 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.5 O=C1CCNCC1F CS-0044438 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.5 [C@@H]1(N)CCCC[C@H]1O CS-W005443 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.8 NCCN1CCCC1 CS-D1372 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.11 CCN1CCCC1=O CS-W013650 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.22 CC1CCNCCN1 CS-W022406 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,0,0,1,0,0|0,0,2]=3 32 B8R1.49 C1=CCCC=CCC1 CS-0015978 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.49 C1=CCCC=CCC1 CS-0035163 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.49 C1=CCCC=CCC1 CS-W007800 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.49 C1=CCCC=CCC1 CS-W008260 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.49 C1=CCCC=CCC1 CS-W009199 [0,0,0,1,0,0|1,0,2]=4 37 B5R0.2 BrCCCCBr CS-W020631 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.2 ICCCCI CS-W004871 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [1,1,0,0,0,0|0,0,2]=4 41 B7R0.4 CC(O)CNCCO CS-M0804 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.4 CCCCCB(O)O CS-W018820 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,2,0,0,0,0|1,0,1]=4 44 B7R1.1 NCC1CCCN1 CS-0019253 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.1 NCC1CCOC1 CS-W004787 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.1 OCC1CCOC1 CS-D1159 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.3 BrC1CCCCC1 CS-W017925 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.3 C=C1CCNCC1 CS-D0508 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.3 ClC1CCNCC1 CS-W006160 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 O=C1CCCCN1 CS-W022933 [1,0,0,1,0,0|1,0,0]=3 56 B7R1.3 O=C1CCCOC1 CS-D1576 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.3 OC1CCCNC1 CS-D1393 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.3 OC1CCCOC1 CS-D1560 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.4 NC1CCNC1=O CS-0113495 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.4 NN1CCCC1=O CS-D0019 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.8 NCCN1CCCCC1 CS-W007776 [0,1,0,1,0,0|1,0,1]=4 65 B9R1.12 NCCCN1CCCC1 CS-W007457 [0,1,0,1,0,0|1,0,1]=4 66 B9R1.12 OCCCN1CCCC1 CS-W005320 [0,1,0,1,0,0|0,0,2]=4 67 B9R1.14 CCN1CCC[C@H]1CN CS-W002498 [0,1,0,1,0,0|1,0,1]=4 68 B9R1.89 COC1=NCCCCC1 CS-W019476 [0,1,0,1,0,0|1,0,1]=4 69 B9R1.1 N#CC1CCC(N)CC1 CS-0043890 [0,1,0,1,0,0|1,0,1]=4 70 B9R1.3 CN1CCCN(C)C1=O CS-W009128 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.6 CC(=O)C1CCNCC1 CS-W021259 [0,1,0,1,0,0|1,0,0]=3 72 B9R1.6 CC(=O)N1CCOCC1 CS-W011119 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.6 O=C(O)C1COCCN1 CS-0043809 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.13 CC(=O)NC1CCCC1 CS-D0484 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.13 CC(=O)NC1CCNC1 CS-0094541 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.41 CC(=O)C1CCOC1=O CS-0015945 [0,1,0,1,0,0|1,0,1]=4 78 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [0,0,0,2,0,0|1,0,0]=3 79 B9R2.39 [C@H]1(N)C[C@@H]2CC[C@H]1C2 CS-0044000 [0,0,0,2,0,0|1,0,1]=4 80 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 CS-0063194 [0,0,0,2,0,0|0,0,2]=4 81 B9R2.3 C1CC2CNCC2C1 CS-D1515 [0,0,0,2,0,0|1,0,1]=4