Mrv1533004241501352D 14 15 0 0 0 0 999 V2000 3.4957 -4.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2407 -4.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4157 -4.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1608 -4.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 -3.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 -2.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -2.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -0.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7812 0.6668 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 3 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 M END > NP0252406 > NP-MRD > O1C=CC=C1C=CC#CC1=CC=CS1 > InChI=1S/C12H8OS/c1(5-11-6-3-9-13-11)2-7-12-8-4-10-14-12/h1,3-6,8-10H > HAKDYPJVGUKNJQ-UHFFFAOYSA-N > C12H8OS > 200.26 > 200.029586052 > 0 > 22 > 22.08128190916614 > 1 > 0 > 0 > 1 > 2-[4-(thiophen-2-yl)but-1-en-3-yn-1-yl]furan > 4.08 > 3.677358863 > -3.69 > 0 > 2 > 0 > -2.87011323500307 > 13.14 > 56.4255 > 3 > 1 > 4.09e-02 g/l > 2-[4-(thiophen-2-yl)but-1-en-3-yn-1-yl]furan > 1 > NP0252406 > 2-[4-(thiophen-2-yl)but-1-en-3-yn-1-yl]furan $$$$