HMDB0258993 RDKit 3D Thifensulfuron-methyl 38 39 0 0 0 0 0 0 0 0999 V2000 -3.7267 1.7292 1.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 0.5702 0.9792 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5873 -0.3763 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6544 -0.1965 1.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4017 -1.5879 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5051 -2.8617 -0.2722 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5567 -3.8200 -1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3897 -3.1133 -1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3105 -1.9551 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -0.9126 -0.7366 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.1944 0.4580 -1.2355 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 -1.4616 -1.6582 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3072 -0.7920 0.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3862 0.0235 1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 0.0708 2.5288 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1873 0.8474 0.1924 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 0.8360 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2809 0.0968 0.8582 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6102 0.0825 0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -0.7363 1.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 0.8674 -0.2083 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4031 1.6332 -1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 2.4474 -2.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3572 2.4733 -2.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 1.6092 -0.8628 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1173 2.5339 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7699 2.0826 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4769 1.6181 2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -4.7814 -1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -3.5185 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3225 -0.7696 3.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 -0.8976 2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4579 -0.1724 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6573 -1.7065 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 2.4481 -3.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 3.4250 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 1.6213 -1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 2.1853 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 13 14 2 3 14 15 1 0 14 16 1 0 16 17 2 3 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 22 25 1 0 9 5 2 0 25 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 7 29 1 0 8 30 1 0 15 31 1 0 20 32 1 0 20 33 1 0 20 34 1 0 24 35 1 0 24 36 1 0 24 37 1 0 25 38 1 0 M END