7248 -OEChem-10051720073D 20 20 0 0 0 0 0 0 0999 V2000 2.9564 -0.4135 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7299 -0.7848 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 0.5511 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6277 -1.1052 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.5665 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5839 -0.0898 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 1.2461 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7356 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 0.9187 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9453 -2.1455 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4702 2.6124 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 2.0464 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.8745 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3661 -1.8365 0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3656 -1.8367 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 0.5278 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0757 0.5283 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -1.3817 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 0.3224 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 M END > DB03018 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DOLQYFPDPKPQSS-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=C(N)C=C1C > InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3 > DOLQYFPDPKPQSS-UHFFFAOYSA-N > C8H11N > 121.1796 > 121.089149357 > 1 > 20 > 0.01496324563822149 > 14.409760759792956 > 1 > 1 > 0 > 0 > 3,4-dimethylaniline > 1.82 > 2.1711626406666666 > -1.43 > 0 > 0 > 1 > 0 > 5.181573369928031 > 26.02 > 40.840799999999994 > 0 > 1 > 4.49e+00 g/l > tetrahydrofolic acid > 1 $$$$