-1-1-1-1CHEMBL493495CHEMBL493495CHEMBL493495CHEMBL4934951.722C16H17F2N3O4S2417.465327417.46-0.73118.360.70N4CC(F)(F)c1cc2c(cc1S(N)(=O)=O)S(=O)(=O)NC(Cc1ccccc1)N2 RDKit 2D 27 29 0 0 0 0 0 0 0 0999 V2000 1.5581 -3.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 -3.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2716 -2.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 -1.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 -3.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8474 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1369 -1.8183 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5823 -2.2261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 -3.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1286 -3.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 -1.8145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -1.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 -2.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5674 -1.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9896 -3.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -3.8833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -2.8821 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5805 -4.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 -3.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 -3.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0064 -2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7175 -1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4355 -2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4378 -3.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7261 -3.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 13 2 0 2 3 1 0 11 14 2 0 2 15 1 0 3 4 2 0 15 16 1 0 4 6 1 0 15 17 1 0 5 10 1 0 15 18 1 0 6 7 1 0 7 19 2 0 7 8 1 0 7 20 2 0 8 9 1 0 9 21 1 0 9 10 1 0 21 22 1 0 5 6 2 0 22 23 2 0 3 11 1 0 23 24 1 0 1 2 2 0 24 25 2 0 11 12 1 0 25 26 1 0 5 1 1 0 26 27 2 0 27 22 1 0 M END > <chembl_id> CHEMBL493495 > <chembl_pref_name> BENDROFLUMETAZIDEInChI=1S/C16H17F2N3O4S2/c1-16(17,18)11-8-12-14(9-13(11)26(19,22)23)27(24,25)21-15(20-12)7-10-5-3-2-4-6-10/h2-6,8-9,15,20-21H,7H2,1H3,(H2,19,22,23)JYDQLCKSZZWSEF-UHFFFAOYSA-NSmall molecule-1BENDROFLUMETAZIDE-1MOL-122.0CHEMBL1526558CHEMBL1526558CHEMBL1526558CHEMBL1526558-0.402C13H14N6O2286.306421286.30-0.77108.040.33N6O=C(NNCNNC(=O)c1ccncc1)c1ccncc1 RDKit 2D 21 22 0 0 0 0 0 0 0 0999 V2000 3.0375 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 2.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 1.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 2.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 3 13 1 0 4 1 2 0 5 2 2 0 6 14 1 0 7 15 1 0 8 1 1 0 9 2 1 0 10 1 1 0 11 12 1 0 12 3 1 0 13 10 1 0 14 20 2 0 15 21 2 0 16 18 1 0 17 19 1 0 18 9 2 0 19 8 2 0 20 8 1 0 21 9 1 0 17 6 2 0 16 7 2 0 M END > <chembl_id> CHEMBL1526558 > <chembl_pref_name> METAZIDEInChI=1S/C13H14N6O2/c20-12(10-1-5-14-6-2-10)18-16-9-17-19-13(21)11-3-7-15-8-4-11/h1-8,16-17H,9H2,(H,18,20)(H,19,21)WWCIFIOLOMCRET-UHFFFAOYSA-NMetazidaINN_SPANISHMETAZIDAMetazideINNMETAZIDENSC-39302RESEARCH_CODENSC-39302Small moleculeMETAZIDEMOL202