legend1234/debugging
0
1H1_Bepotastine2 RDKit 3D3 4 52 54 0 0 1 0 0 0 0 0999 V20005 6.2601 3.8627 -0.7580 Cl 0 0 0 0 0 0 0 0 0 0 0 06 0.7350 0.2169 -0.1032 O 0 0 0 0 0 0 0 0 0 0 0 07 -7.2627 2.0029 -1.7812 O 0 0 0 0 0 0 0 0 0 0 0 08 -7.8739 -0.0429 -1.1421 O 0 0 0 0 0 0 0 0 0 0 0 09 -3.2826 0.1387 1.0997 N 0 0 0 0 0 0 0 0 0 0 0 010 2.0420 -2.0119 -1.2138 N 0 0 0 0 0 0 0 0 0 0 0 011 -0.4341 -0.2713 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 012 -1.5088 -0.5144 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 013 -0.9255 0.7694 1.5572 C 0 0 0 0 0 0 0 0 0 0 0 014 -2.8345 -0.8975 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 015 -2.2740 0.3674 2.1479 C 0 0 0 0 0 0 0 0 0 0 0 016 -4.5811 -0.1850 1.7144 C 0 0 0 0 0 0 0 0 0 0 0 017 -5.7574 -0.2607 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 018 1.9672 -0.2099 0.5040 C 0 0 2 0 0 0 0 0 0 0 0 019 -5.9298 1.0111 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 020 3.0410 0.8232 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 021 2.3687 -1.6155 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 022 3.9935 1.1819 1.1545 C 0 0 0 0 0 0 0 0 0 0 0 023 3.1185 1.4155 -1.0867 C 0 0 0 0 0 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1 086 13 40 1 087 14 16 1 088 14 17 1 089 14 41 1 190 15 20 1 091 15 42 1 092 15 43 1 093 16 18 2 094 16 19 1 095 17 21 1 096 18 22 1 097 18 44 1 098 19 23 2 099 19 45 1 0100 21 24 2 0101 21 46 1 0102 22 25 2 0103 22 47 1 0104 23 25 1 0105 23 48 1 0106 24 27 1 0107 24 49 1 0108 26 27 2 0109 26 50 1 0110 27 51 1 0111M END112> <compoud_name> (1)113H1_Bepotastine114 115> <SMILES> (1)116[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(OC([H])(c2nc([H])c([H])c([H])c2[H])c2c([H])c([H])c(Cl)c([H])c2[H])C([H])([H])C1([H])[H]117 118> <cid> (1)1192350120 121> <category> (1)122N123 124> <inchi> (1)125InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m1/s1126 127> <Energy> (1)12849.1758129 130$$$$131H1_Quifenadine132 RDKit 3D133 134 45 48 0 0 1 0 0 0 0 0999 V2000135 0.1106 0.2102 -1.7897 O 0 0 0 0 0 0 0 0 0 0 0 0136 3.4646 1.0770 -0.0854 N 0 0 0 0 0 0 0 0 0 0 0 0137 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(2)233[H]OC(c1c([H])c([H])c([H])c([H])c1[H])(c1c([H])c([H])c([H])c([H])c1[H])C1([H])C([H])([H])N2C([H])([H])C([H])([H])C1([H])C([H])([H])C2([H])[H]234 235> <cid> (2)23665600237 238> <category> (2)239N240 241> <inchi> (2)242InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19,22H,11-15H2/t19-/m1/s1243 244> <Energy> (2)24584.891246 247$$$$248H1_Rupatadine249 RDKit 3D250 251 56 60 0 0 0 0 0 0 0 0999 V2000252 6.5298 3.3080 0.0562 Cl 0 0 0 0 0 0 0 0 0 0 0 0253 -2.1780 1.1440 -0.1081 N 0 0 0 0 0 0 0 0 0 0 0 0254 1.8055 -2.5028 1.6263 N 0 0 0 0 0 0 0 0 0 0 0 0255 -6.5347 -0.2932 -1.5666 N 0 0 0 0 0 0 0 0 0 0 0 0256 0.4984 0.2017 0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0257 -0.7596 -0.6401 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0258 0.1325 1.6779 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0259 -1.8276 -0.2907 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0260 -0.9697 1.9571 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0261 1.7535 -0.3064 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0262 -3.2065 1.4670 -1.1132 C 0 0 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1 0361 27 52 1 0362 28 29 2 0363 28 30 1 0364 29 53 1 0365 30 54 1 0366 30 55 1 0367 30 56 1 0368M END369> <compoud_name> (3)370H1_Rupatadine371 372> <SMILES> (3)373[H]c1nc2c(c([H])c1[H])C([H])([H])C([H])([H])c1c([H])c(Cl)c([H])c([H])c1C2=C1C([H])([H])C([H])([H])N(C([H])([H])c2c([H])nc([H])c(C([H])([H])[H])c2[H])C([H])([H])C1([H])[H]374 375> <cid> (3)376133017377 378> <category> (3)379N380 381> <inchi> (3)382InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3383 384> <Energy> (3)385119.976386 387$$$$388