0 B6R0.6 CCCCCCO M29392 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.6 CCCCN=C=S M24585 [0,0,0,0,0,0|1,1,1]=3 2 B6R0.6 CCC\C=C\C=O M21392 [0,0,0,0,0,0|0,0,4]=4 3 B6R0.6 CC\C=C/CCO M27539 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.6 COCCCCO M22101 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.6 ClCCNCCCl M16053 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 N#CCCCCCl M27271 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 NCCCCCN M19735 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 OCCNCCO M19680 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.6 OCCSCCO M10422 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 CCCSSC M28231 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 NCCCCN M19711 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 CCCCCON=O M19466 [0,1,0,0,0,0|1,0,1]=3 13 B7R0.1 CCCSSCCC M24629 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.1 COCCOCCBr M26972 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.1 CSCCCN=C=S M21152 [0,1,0,0,0,0|1,1,1]=4 16 B7R0.1 NCCCNCCS M29602 [0,1,0,0,0,0|1,1,0]=3 17 B7R0.1 NCCSSCCN M24550 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.3 COC(=O)CCCN M27562 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.4 CCCCCC(=O)O M19562 [0,1,0,0,0,0|0,0,1]=2 20 B7R0.4 CCCCCC(C)N M10956 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.4 CCCCCC(C)O M28052 [0,1,0,0,0,0|0,0,0]=1 22 B7R0.4 NCCCCC(=O)O M19658 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.7 CN(CCCl)CCCl M15032 [0,1,0,0,0,0|3,0,0]=4 24 B7R1.3 NN1CCCCC1 M15389 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.3 O=C1CCCCO1 M19622 [0,0,0,1,0,0|1,0,1]=3 26 B7R1.4 CC1OCCC1=O M21390 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.4 CN1CCCC1=O M28477 [0,0,0,1,0,0|1,0,2]=4 28 B4R0.2 CCCCO M19029 [2,0,0,0,0,0|0,0,0]=2 29 B4R0.2 CCNCC M24671 [2,0,0,0,0,0|1,0,0]=3 30 B4R0.2 COCCO M19726 [2,0,0,0,0,0|1,0,0]=3 31 B4R0.2 NCCCN M19709 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.2 OCCCO M28314 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 CCCCC(=O)O M19748 [1,1,0,0,0,0|0,0,1]=3 34 B6R0.4 CCCCC(C)=O M20883 [1,1,0,0,0,0|0,0,1]=3 35 B6R0.4 CCOCC(=O)O M28131 [1,1,0,0,0,0|1,0,1]=4 36 B6R0.4 CSCCC(=O)O M20021 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.4 NCCCC(=O)O M15043 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.4 NCCCCCCCN M21554 [0,2,0,0,0,0|1,0,0]=3 39 B8R0.4 NCCCNCCCN M19708 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.7 CC(=O)NCCCCN M20805 [0,2,0,0,0,0|1,0,1]=4 41 B8R0.7 CCCCCCC(=O)O M19552 [0,2,0,0,0,0|0,0,0]=2 42 B8R0.7 NCCCCCC(=O)O M15254 [0,2,0,0,0,0|0,0,1]=3 43 B8R0.3 O=CC[C@H](O)[C@H](O)CO M19619 [0,2,0,0,0,0|1,0,1]=4 44 B8R0.8 CCCCC(C)C(=O)O M21371 [0,2,0,0,0,0|0,0,1]=3 45 B8R0.8 CCCCC(O)C(=O)O M20063 [0,2,0,0,0,0|0,0,1]=3 46 B8R0.8 CCCC[C@H](N)C(=O)O M19595 [0,2,0,0,0,0|0,0,1]=3 47 B8R0.8 CSCCC(N)C(=O)O M18867 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.8 CSCC[C@H](N)C(=O)O M19651 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.8 C[Se]CCC(N)C(=O)O M11993 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.8 C[Se]CC[C@H](N)C(=O)O M20121 [0,2,0,0,0,0|1,0,1]=4 51 B8R0.8 NCCCC(N)C(=O)O M18420 [0,2,0,0,0,0|1,0,1]=4 52 B8R0.8 NCCC[C@@H](N)C(=O)O M12545 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.8 NCCC[C@H](N)C(=O)O M15698 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.8 NCCC[C@H](N)C(=O)O M27087 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.11 CCN(CC)CCCO M28326 [0,2,0,0,0,0|1,0,0]=3 56 B8R0.5 CCOC(=O)CC(C)O M27074 [0,2,0,0,0,0|1,0,1]=4 57 B8R0.28 CC(C)CCCC(C)N M14951 [0,2,0,0,0,0|1,0,0]=3 58 B8R0.28 CC(C)CCCC(C)N M27569 [0,2,0,0,0,0|1,0,0]=3 59 B6R1.1 C1CNCCN1 M19487 [1,0,0,1,0,0|2,0,0]=4 60 B6R1.1 C1CSCSC1 M27046 [1,0,0,1,0,0|1,1,0]=4 61 B6R1.2 CN1CCCC1 M21557 [1,0,0,1,0,0|1,0,0]=3 62 B6R1.2 O=C1CCCC1 M19695 [1,0,0,1,0,0|0,0,2]=4 63 B8R1.5 CC1CCCCC1=O M28092 [0,1,0,1,0,0|0,0,1]=3 64 B8R1.5 O[C@@H]1CCCC[C@H]1O M19563 [0,1,0,1,0,0|0,0,0]=2 65 B8R1.22 O=C1CCCCCN1 M27265 [0,1,0,1,0,0|0,0,2]=4 66 B8R1.1 CCC1CCC(=O)O1 M21388 [0,1,0,1,0,0|0,0,1]=3 67 B8R1.3 OC1COC(O)CO1 M19580 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.4 CC1CCCC(C)N1 M14714 [0,1,0,1,0,0|1,0,0]=3 69 B8R1.7 O=C(O)C1CCCN1 M18044 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.7 O=C(O)[C@H]1CCCN1 M20032 [0,1,0,1,0,0|1,0,1]=4