0 B7R0.1 CCCCCON=O M19466 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 CCCSSCCC M24629 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.1 COCCOCCBr M26972 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.1 CSCCCN=C=S M21152 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.1 NCCCNCCS M29602 [0,0,0,0,0,0|2,1,0]=3 5 B7R0.1 NCCSSCCN M24550 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 CCCCCCO M29392 [1,0,0,0,0,0|0,0,0]=1 7 B6R0.6 CCCCN=C=S M24585 [1,0,0,0,0,0|1,1,1]=4 8 B6R0.6 CC\C=C/CCO M27539 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.6 COCCCCO M22101 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.6 ClCCNCCCl M16053 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.6 N#CCCCCCl M27271 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 NCCCCCN M19735 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.6 OCCNCCO M19680 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.6 OCCSCCO M10422 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.4 NCCCCCCCN M21554 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.4 NCCCNCCCN M19708 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.7 CC(=O)NCCCCN M20805 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.7 CCCCCCC(=O)O M19552 [0,1,0,0,0,0|0,0,1]=2 19 B8R0.7 NCCCCCC(=O)O M15254 [0,1,0,0,0,0|1,0,1]=3 20 B8R1.5 CC1CCCCC1=O M28092 [0,0,0,1,0,0|0,0,2]=3 21 B8R1.5 O[C@@H]1CCCC[C@H]1O M19563 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.22 O=C1CCCCCN1 M27265 [0,0,0,1,0,0|1,0,2]=4 23 B5R0.2 CCCSSC M28231 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.2 NCCCCN M19711 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.4 CCCCCC(=O)O M19562 [1,1,0,0,0,0|0,0,1]=3 26 B7R0.4 CCCCCC(C)N M10956 [1,1,0,0,0,0|0,0,0]=2 27 B7R0.4 CCCCCC(C)O M28052 [1,1,0,0,0,0|0,0,0]=2 28 B7R0.4 NCCCCC(=O)O M19658 [1,1,0,0,0,0|1,0,1]=4 29 B9R0.18 O=C(CCCO)NCCO M27983 [0,2,0,0,0,0|1,0,1]=4 30 B9R0.2 CC(=O)NCCCCCN M19992 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.2 CCCCCCCC(=O)O M19558 [0,2,0,0,0,0|0,0,0]=2 32 B9R0.2 CCCCCNCC(N)=O M28420 [0,2,0,0,0,0|0,0,2]=4 33 B9R0.2 CCCCC\C=C\C(=O)O M20010 [0,2,0,0,0,0|0,0,2]=4 34 B9R0.45 ICCOCCOCCI M26870 [0,2,0,0,0,0|2,0,0]=4 35 B9R0.45 NCCCCNCCCN M19710 [0,2,0,0,0,0|1,0,0]=3 36 B9R0.45 NCCCCNCCCN M19880 [0,2,0,0,0,0|1,0,0]=3 37 B9R0.45 NCCNCCNCCN M24342 [0,2,0,0,0,0|2,0,0]=4 38 B9R0.45 [N-]=[N+]=NCCCCCCO M28206 [0,2,0,0,0,0|1,0,0]=3 39 B9R0.47 CCCCCC(C)C(=O)O M21372 [0,2,0,0,0,0|0,0,1]=3 40 B9R0.47 CCSCC[C@H](N)C(=O)O M23462 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.47 NCCCCC(N)C(=O)O M18826 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.47 NCCCC[C@H](N)C(=O)O M21400 [0,2,0,0,0,0|1,0,1]=4 43 B7R1.3 NN1CCCCC1 M15389 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.3 O=C1CCCCO1 M19622 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.8 CCCC1CCCCN1 M23697 [0,1,0,1,0,0|1,0,0]=3 46 B9R1.8 OCCN1CCSCC1 M28627 [0,1,0,1,0,0|1,0,0]=3 47 B9R1.6 O=C(O)C1CCCCC1 M20308 [0,1,0,1,0,0|0,0,1]=3 48 B9R1.6 O=C(O)C1CCCCN1 M19618 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.6 O=C(O)C1CCNCC1 M27557 [0,1,0,1,0,0|1,0,1]=4 50 B9R1.6 O=C(O)[C@@H]1CCCCN1 M19590 [0,1,0,1,0,0|1,0,1]=4 51 B9R1.41 CN1CCC[C@H]1C(=O)O M28313 [0,1,0,1,0,0|1,0,1]=4