HMDB0256536 RDKit 3D Picric acid 19 19 0 0 0 0 0 0 0 0999 V2000 3.7860 0.7842 -0.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0251 -0.1653 0.0954 N 0 0 0 0 0 4 0 0 0 0 0 0 3.6192 -1.4031 0.3246 O 0 0 0 0 0 1 0 0 0 0 0 0 1.6003 -0.0809 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 1.0965 -0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 1.1750 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 2.4192 -0.4446 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.4704 3.4429 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 2.5451 -1.0534 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.2311 0.0451 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6043 -0.0193 -0.0482 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5512 -1.1709 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 -2.3322 0.3822 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.4636 -2.2135 0.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9254 -3.5724 -0.0072 O 0 0 0 0 0 1 0 0 0 0 0 0 0.8207 -1.1969 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 2.0239 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 0.7622 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3171 -2.1398 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 2 0 16 4 1 0 5 17 1 0 11 18 1 0 16 19 1 0 M CHG 6 2 1 3 -1 7 1 9 -1 13 1 15 -1 M END