Cilnidipine.cdx
csChFnd80/04122413082D

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M  END
>  <Mol_ID> (1)
169

>  <Formula> (1)
C27H28N2O7

>  <MolWeight> (1)
492.52042

>  <Cat> (1)
S1293

>  <Name> (1)
Cilnidipine (FRC-8653)

>  <Synonyms> (1)
FRC-8653

>  <Target> (1)
Calcium Channel

>  <Form> (1)
free base

>  <CAS> (1)
132203-70-4

>  <URL> (1)
http://selleckchem.com/products/Cilnidipine.html

$$$$
Diltiazem HCl.cdx
csChFnd80/04122413082D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.0318    7.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 29  1  1  0  0  0  0
M  END
>  <Mol_ID> (2)
171

>  <Formula> (2)
C22H27ClN2O4S

>  <MolWeight> (2)
450.97878

>  <Cat> (2)
S1865

>  <Name> (2)
Diltiazem HCl

>  <Synonyms> (2)
RG 83606 HCl

>  <Target> (2)
Calcium Channel

>  <Form> (2)
Hydrochloride

>  <CAS> (2)
33286-22-5

>  <URL> (2)
http://selleckchem.com/products/Diltiazem-HCl(Tiazac).html

$$$$
Felodipine.cdx
csChFnd80/04122413082D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
176

>  <Formula> (3)
C18H19Cl2NO4

>  <MolWeight> (3)
384.25376

>  <Cat> (3)
S1885

>  <Name> (3)
Felodipine

>  <Synonyms> (3)
CGH-869

>  <Target> (3)
Calcium Channel

>  <Form> (3)
free base

>  <CAS> (3)
72509-76-3

>  <URL> (3)
http://selleckchem.com/products/Felodipine(Plendil).html

$$$$
Levetiracetam.cdx
csChFnd80/04122413082D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.5536    4.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
M  END
>  <Mol_ID> (4)
226

>  <Formula> (4)
C8H14N2O2

>  <MolWeight> (4)
170.20896

>  <Cat> (4)
S1356

>  <Name> (4)
Levetiracetam (UCB-L059)

>  <Synonyms> (4)
UCB-L059, SIB-S1

>  <Target> (4)
AChR,Calcium Channel

>  <Form> (4)
free base

>  <CAS> (4)
102767-28-2

>  <URL> (4)
http://selleckchem.com/products/Levetiracetam.html

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/04122413082D

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    2.9832    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4039    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6878    3.4964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (5)
262

>  <Formula> (5)
C24H35Cl2N3O4

>  <MolWeight> (5)
500.4584

>  <Cat> (5)
S1425

>  <Name> (5)
Ranolazine 2HCl

>  <Synonyms> (5)
RS-43285,RS 43285-193,Ranexa, renolazine,Ranolazine dihydrochloride

>  <Target> (5)
Calcium Channel

>  <Form> (5)
Dihydrochloride

>  <CAS> (5)
95635-56-6

>  <URL> (5)
http://selleckchem.com/products/Ranolazine-dihydrochloride.html

$$$$
Topiramate.cdx
csChFnd80/04122413082D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7240    3.0357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4240    1.8233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    1.8233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5240    3.0357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    4.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5139    4.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7608    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8934    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4021    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8615    3.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    4.6511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1956    4.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    6.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    3.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0382    2.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  3  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
  1 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (6)
268

>  <Formula> (6)
C12H21NO8S

>  <MolWeight> (6)
339.36204

>  <Cat> (6)
S1438

>  <Name> (6)
Topiramate

>  <Synonyms> (6)
MCN 4853, RWJ 17021

>  <Target> (6)
Carbonic Anhydrase

>  <Form> (6)
free base

>  <CAS> (6)
97240-79-4

>  <URL> (6)
http://selleckchem.com/products/Topiramate.html

$$$$
Zonisamide.cdx
csChFnd80/04122413082D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.7698    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5698    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    2.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    2.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541    3.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    0.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744    2.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (7)
274

>  <Formula> (7)
C8H8N2O3S

>  <MolWeight> (7)
212.22572

>  <Cat> (7)
S1445

>  <Name> (7)
Zonisamide

>  <Synonyms> (7)
Zonegran,CI-912,AD 810

>  <Target> (7)
Sodium Channel

>  <Form> (7)
free base

>  <CAS> (7)
68291-97-4

>  <URL> (7)
http://selleckchem.com/products/Zonisamide.html

$$$$
Fasudil HCl.cdx
csChFnd80/04122413082D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431    5.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480    2.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    1.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    1.2490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    4.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (8)
348

>  <Formula> (8)
C14H18ClN3O2S

>  <MolWeight> (8)
327.82962

>  <Cat> (8)
S1573

>  <Name> (8)
Fasudil (HA-1077) HCl

>  <Synonyms> (8)
AT-877,HA-1077 HCl

>  <Target> (8)
Autophagy,Calcium Channel,MLCK,PKA,PKC,PKG,Rho,ROCK

>  <Form> (8)
Hydrochloride

>  <CAS> (8)
105628-07-7

>  <URL> (8)
http://selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/04122413082D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    6.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    7.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 22 27  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (9)
396

>  <Formula> (9)
C19H21N3O5

>  <MolWeight> (9)
371.38714

>  <Cat> (9)
S1662

>  <Name> (9)
Isradipine

>  <Synonyms> (9)
PN 200-110

>  <Target> (9)
Calcium Channel

>  <Form> (9)
free base

>  <CAS> (9)
75695-93-1

>  <URL> (9)
http://selleckchem.com/products/Isradipine(Dynacirc).html

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/04122413082D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    5.6073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4955    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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 12  7  1  0  0  0  0
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 22 23  1  0  0  0  0
 18 24  2  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (10)
442

>  <Formula> (10)
C21H26N2O7

>  <MolWeight> (10)
418.44034

>  <Cat> (10)
S1747

>  <Name> (10)
Nimodipine

>  <Synonyms> (10)
BAY E 9736

>  <Target> (10)
Autophagy,Calcium Channel

>  <Form> (10)
free base

>  <CAS> (10)
66085-59-4

>  <URL> (10)
http://selleckchem.com/products/Nimodipine(Nimotop).html

$$$$
RANEXA (ranolazine).cdx
csChFnd80/04122413082D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (11)
462

>  <Formula> (11)
C24H33N3O4

>  <MolWeight> (11)
427.53652

>  <Cat> (11)
S1799

>  <Name> (11)
Ranolazine

>  <Synonyms> (11)
CVT 303, RS 43285-003

>  <Target> (11)
Calcium Channel

>  <Form> (11)
Free Base

>  <CAS> (11)
95635-55-5

>  <URL> (11)
http://selleckchem.com/products/Ranolazine(Ranexa).html

$$$$
ADALAT (nifedipine).cdx
csChFnd80/04122413082D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    5.2575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3884    4.2710    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7629    6.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (12)
466

>  <Formula> (12)
C17H18N2O6

>  <MolWeight> (12)
346.33462

>  <Cat> (12)
S1808

>  <Name> (12)
Nifedipine (BAY-a-1040)

>  <Synonyms> (12)
BAY-a-1040

>  <Target> (12)
Calcium Channel

>  <Form> (12)
free base

>  <CAS> (12)
21829-25-4

>  <URL> (12)
http://selleckchem.com/products/Nifedipine(Adalat).html

$$$$
Amiloride hydrochloride.cdx
csChFnd80/04122413082D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376    5.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (13)
467

>  <Formula> (13)
C6H9Cl2N7O

>  <MolWeight> (13)
266.08796

>  <Cat> (13)
S1811

>  <Name> (13)
Amiloride (MK-870) HCl

>  <Synonyms> (13)
MK-870 HCl

>  <Target> (13)
Calcium Channel,Serine Protease,Sodium Channel

>  <Form> (13)
Hydrochloride

>  <CAS> (13)
2016-88-8

>  <URL> (13)
http://selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

$$$$
Amlodipine besylate.cdx
csChFnd80/04122413082D

 38 39  0  0  0  0  0  0  0  0999 V2000
    6.0411    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.8927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4660    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    1.4428    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.5620    4.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5620    3.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7744    2.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9869    3.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9869    4.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7744    5.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3538    2.4451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.1413    1.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6562    3.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0513    1.2369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 23 28  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (14)
470

>  <Formula> (14)
C26H31ClN2O8S

>  <MolWeight> (14)
567.05094

>  <Cat> (14)
S1813

>  <Name> (14)
Amlodipine Besylate

>  <Synonyms> (14)
N/A

>  <Target> (14)
Calcium Channel

>  <Form> (14)
Besylate

>  <CAS> (14)
111470-99-6

>  <URL> (14)
http://selleckchem.com/products/Amlodipine-besylate(Norvasc).html

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/04122413082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.9024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3443    1.4406    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  2  0  0  0  0
 13 28  1  0  0  0  0
M  END
>  <Mol_ID> (15)
706

>  <Formula> (15)
C20H25ClN2O5

>  <MolWeight> (15)
408.8759

>  <Cat> (15)
S1905

>  <Name> (15)
Amlodipine

>  <Synonyms> (15)
UK-48340

>  <Target> (15)
Calcium Channel

>  <Form> (15)
free base

>  <CAS> (15)
88150-42-9

>  <URL> (15)
http://selleckchem.com/products/Amlodipine(Norvasc).html

$$$$
Astragaloside A.cdx
csChFnd80/04122413082D

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    1.2082    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3242    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5324    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   12.2546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6612    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   12.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   14.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   14.5199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0514   13.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6619   11.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432   15.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   16.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   16.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  7  1  1  0  0  0
  4  8  1  1  0  0  0
  3  9  1  6  0  0  0
  1 10  1  6  0  0  0
 11  8  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 14  1  0  0  0  0
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 24 20  1  0  0  0  0
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 14 28  1  1  0  0  0
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 22 30  1  1  0  0  0
 17 31  1  6  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  1  1  0  0  0
 34 39  1  1  0  0  0
 37 40  1  6  0  0  0
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 39 42  1  0  0  0  0
 21 43  1  6  0  0  0
 27 44  1  0  0  0  0
 26 45  1  1  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 44  1  0  0  0  0
 44 50  1  6  0  0  0
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 27 55  1  6  0  0  0
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 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
M  END
>  <Mol_ID> (16)
768

>  <Formula> (16)
C41H68O14

>  <MolWeight> (16)
784.97022

>  <Cat> (16)
S2415

>  <Name> (16)
Astragaloside A

>  <Synonyms> (16)
N/A

>  <Target> (16)
Calcium Channel

>  <Form> (16)
free base

>  <CAS> (16)
83207-58-3

>  <URL> (16)
http://selleckchem.com/products/astragaloside-a.html

$$$$
Manidipine.cdx
csChFnd80/04122413082D

 45 49  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 33  1  0  0  0  0
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 40 34  1  0  0  0  0
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 44 45  2  0  0  0  0
 45 35  1  0  0  0  0
M  END
>  <Mol_ID> (17)
783

>  <Formula> (17)
C35H38N4O6

>  <MolWeight> (17)
610.69942

>  <Cat> (17)
S2481

>  <Name> (17)
Manidipine

>  <Synonyms> (17)
CV-4093,(¡À)-Manidipine

>  <Target> (17)
Calcium Channel

>  <Form> (17)
free base

>  <CAS> (17)
89226-50-6

>  <URL> (17)
http://selleckchem.com/products/Manidipine(Manyper).html

$$$$
Manidipine HCl.cdx
csChFnd80/04122413082D

 47 49  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200   13.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1765    6.6427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7766    6.6427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 34  1  0  0  0  0
 35 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 35  1  0  0  0  0
M  END
>  <Mol_ID> (18)
790

>  <Formula> (18)
C35H40Cl2N4O6

>  <MolWeight> (18)
683.6213

>  <Cat> (18)
S2482

>  <Name> (18)
Manidipine 2HCl

>  <Synonyms> (18)
CV-4093

>  <Target> (18)
Calcium Channel

>  <Form> (18)
Dihydrochloride

>  <CAS> (18)
89226-75-5

>  <URL> (18)
http://selleckchem.com/products/Manidipine-dihydrochloride(CV-4093).html

$$$$
Nitrendipine.cdx
csChFnd80/04122413082D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3879    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6827    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (19)
796

>  <Formula> (19)
C18H20N2O6

>  <MolWeight> (19)
360.3612

>  <Cat> (19)
S2491

>  <Name> (19)
Nitrendipine

>  <Synonyms> (19)
Bayotensin

>  <Target> (19)
Autophagy,Calcium Channel

>  <Form> (19)
free base

>  <CAS> (19)
39562-70-4

>  <URL> (19)
http://selleckchem.com/products/Nitrendipine.html

$$$$
Econazole nitrate.cdx
csChFnd80/04122413082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7489    3.6750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.4465    4.8832    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.4465    2.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3537    3.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (20)
824

>  <Formula> (20)
C18H16Cl3N3O4

>  <MolWeight> (20)
444.69634

>  <Cat> (20)
S2535

>  <Name> (20)
Econazole nitrate

>  <Synonyms> (20)
NSC 243115,Spectazole

>  <Target> (20)
Calcium Channel,Fungal

>  <Form> (20)
Nitrate

>  <CAS> (20)
24169-02-6

>  <URL> (20)
http://selleckchem.com/products/Econazole-nitrate-Spectazole.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/04122413082D

 38 40  0  0  0  0  0  0  0  0999 V2000
   12.1033    5.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.3458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8909    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    7.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    8.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    3.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.3434    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    5.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.3434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    8.5434    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5240    9.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    7.8434    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6331    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    5.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    5.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0152    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  1  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  1  1  0  0  0  0
  6 13  1  0  0  0  0
  4 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
  9 25  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 16 35  1  0  0  0  0
  7 15  1  0  0  0  0
 15 36  2  0  0  0  0
  3 17  1  0  0  0  0
 17 37  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (21)
947

>  <Formula> (21)
C28H32ClN3O6

>  <MolWeight> (21)
542.02318

>  <Cat> (21)
S2017

>  <Name> (21)
Benidipine HCl

>  <Synonyms> (21)
KW-3049,(¡À)- Benidipine

>  <Target> (21)
Calcium Channel

>  <Form> (21)
Hydrochloride

>  <CAS> (21)
91599-74-5

>  <URL> (21)
http://selleckchem.com/products/benidipine-hydrochloride.html

$$$$
Lacidipine.cdx
csChFnd80/04122413082D

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2977    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (22)
953

>  <Formula> (22)
C26H33NO6

>  <MolWeight> (22)
455.54332

>  <Cat> (22)
S1994

>  <Name> (22)
Lacidipine

>  <Synonyms> (22)
GX-1048, GR-43659X, SN-305

>  <Target> (22)
Calcium Channel

>  <Form> (22)
free base

>  <CAS> (22)
103890-78-4

>  <URL> (22)
http://selleckchem.com/products/lacidipine-lacipil-motens.html

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/04122413082D

 20 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7701    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7758    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 19  2  0  0  0  0
M  END
>  <Mol_ID> (23)
958

>  <Formula> (23)
C15H25ClN2O2

>  <MolWeight> (23)
300.8242

>  <Cat> (23)
S2573

>  <Name> (23)
Tetracaine HCl

>  <Synonyms> (23)
Amethocaine hydrochloride

>  <Target> (23)
Calcium Channel

>  <Form> (23)
Hydrochloride

>  <CAS> (23)
136-47-0

>  <URL> (23)
http://selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

$$$$
Catharanthine.cdx
csChFnd80/04122413082D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.3219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778    4.3917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8990    5.4460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6490    6.8235    0.0000 N   0  0  2  0  0  0  0  0  0  0  0  0
    5.4161    7.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 12 19  1  6  0  0  0
 16 19  1  6  0  0  0
 11 21  1  1  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 16 24  1  0  0  0  0
 10 20  1  1  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (24)
1049

>  <Formula> (24)
C21H24N2O2

>  <MolWeight> (24)
336.42746

>  <Cat> (24)
S3202

>  <Name> (24)
Catharanthine

>  <Synonyms> (24)
N/A

>  <Target> (24)
AChR

>  <Form> (24)
free base

>  <CAS> (24)
2468-21-5

>  <URL> (24)
http://selleckchem.com/products/catharanthine.html

$$$$
Cinepazide maleate.cdx
csChFnd80/04122413082D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.8531    5.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    5.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8897    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  7 16  2  0  0  0  0
 17 18  1  0  0  0  0
 14 17  1  0  0  0  0
 19 20  1  0  0  0  0
 13 19  1  0  0  0  0
 21 22  1  0  0  0  0
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  4  7  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 30  1  0  0  0  0
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 23 24  1  0  0  0  0
  1 23  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 31 35  1  0  0  0  0
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 34 37  1  0  0  0  0
 34 38  2  0  0  0  0
M  END
>  <Mol_ID> (25)
1059

>  <Formula> (25)
C26H35N3O9

>  <MolWeight> (25)
533.5708

>  <Cat> (25)
S3045

>  <Name> (25)
Cinepazide maleate

>  <Synonyms> (25)
N/A

>  <Target> (25)
Calcium Channel

>  <Form> (25)
Maleate

>  <CAS> (25)
26328-04-1

>  <URL> (25)
http://selleckchem.com/products/cinepazide-maleate.html

$$$$
Azelnidipine.cdx
csChFnd80/04122413082D

 43 47  0  0  0  0  0  0  0  0999 V2000
   10.2017    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   11.4141    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7768    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    7.7768    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.8390    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    4.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
  3 13  1  0  0  0  0
  5 22  1  0  0  0  0
  1 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 12 24  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 30  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 32 37  2  0  0  0  0
 31 32  1  0  0  0  0
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 39 40  2  0  0  0  0
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 38 43  2  0  0  0  0
 31 38  1  0  0  0  0
 27 31  1  0  0  0  0
  9 29  1  0  0  0  0
M  END
>  <Mol_ID> (26)
1077

>  <Formula> (26)
C33H34N4O6

>  <MolWeight> (26)
582.64626

>  <Cat> (26)
S3053

>  <Name> (26)
Azelnidipine

>  <Synonyms> (26)
UR-12592

>  <Target> (26)
Calcium Channel

>  <Form> (26)
free base

>  <CAS> (26)
123524-52-7

>  <URL> (26)
http://selleckchem.com/products/azelnidipine.html

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/04122413082D

 20 20  0  0  0  0  0  0  0  0999 V2000
    8.8488    0.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0613    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6364    1.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4777    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6859    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8942    1.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1024    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3106    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3106    2.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6106    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0106    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0152    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5231    3.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8754    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8231    2.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8395    1.8350    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.4395    1.8350    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 18 12  1  0  0  0  0
M  END
>  <Mol_ID> (27)
1102

>  <Formula> (27)
C16H32Br2N2

>  <MolWeight> (27)
412.24668

>  <Cat> (27)
S2860

>  <Name> (27)
IEM 1754 2HBr

>  <Synonyms> (27)
N/A

>  <Target> (27)
GluR

>  <Form> (27)
DihydrobroMide

>  <CAS> (27)
162831-31-4

>  <URL> (27)
http://selleckchem.com/products/iem-1754-dihydrobromide.html

$$$$
Felbamate.cdx
csChFnd80/04122413082D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 12 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (28)
1152

>  <Formula> (28)
C11H14N2O4

>  <MolWeight> (28)
238.23986

>  <Cat> (28)
S1330

>  <Name> (28)
Felbamate

>  <Synonyms> (28)
Felbatol, ADD-03055,W-554

>  <Target> (28)
NMDAR

>  <Form> (28)
free base

>  <CAS> (28)
25451-15-4

>  <URL> (28)
http://selleckchem.com/products/Felbamate.html

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/04122413082D

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.1504    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1504    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2042    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4166    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4166    7.6879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2042    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6248    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2495    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9422    8.3854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.2495    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6744    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1631    4.1940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7631    4.1940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  8  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 12 25  1  0  0  0  0
 23 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 23  1  0  0  0  0
M  END
>  <Mol_ID> (29)
1174

>  <Formula> (29)
C26H28Cl2F2N2

>  <MolWeight> (29)
477.4167264

>  <Cat> (29)
S2030

>  <Name> (29)
Flunarizine 2HCl

>  <Synonyms> (29)
KW-3149, R14950

>  <Target> (29)
Calcium Channel

>  <Form> (29)
2HCl

>  <CAS> (29)
30484-77-6

>  <URL> (29)
http://selleckchem.com/products/flunarizine-dihydrochloride.html

$$$$
Cleviprex.cdx
csChFnd80/04122413082D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3073    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0792    6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792    7.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8646    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    7.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4428    5.5943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4412    8.3904    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (30)
1189

>  <Formula> (30)
C21H23Cl2NO6

>  <MolWeight> (30)
456.31642

>  <Cat> (30)
S2080

>  <Name> (30)
Clevidipine Butyrate

>  <Synonyms> (30)
Cleviprex

>  <Target> (30)
Calcium Channel

>  <Form> (30)
free base

>  <CAS> (30)
167221-71-8

>  <URL> (30)
http://selleckchem.com/products/cleviprex-clevidipine.html

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/04122413082D

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M  END
>  <Mol_ID> (31)
1199

>  <Formula> (31)
C31H45ClN2O5S

>  <MolWeight> (31)
593.2174

>  <Cat> (31)
S2114

>  <Name> (31)
Dronedarone HCl

>  <Synonyms> (31)
SR33589

>  <Target> (31)
Calcium Channel,Potassium Channel,Sodium Channel

>  <Form> (31)
HCl

>  <CAS> (31)
141625-93-6

>  <URL> (31)
http://selleckchem.com/products/dronedarone-hcl-multaq.html

$$$$

csChFnd80/04122413082D

 60 59  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
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 43 46  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (32)
1201

>  <Formula> (32)
C44H76N4O10S2

>  <MolWeight> (32)
885.22504

>  <Cat> (32)
S2118

>  <Name> (32)
Ibutilide Fumarate

>  <Synonyms> (32)
U-70226E,Corvert Fumarate

>  <Target> (32)
Sodium Channel

>  <Form> (32)
Fumarate

>  <CAS> (32)
122647-32-9

>  <URL> (32)
http://selleckchem.com/products/ibutilide-fumarate.html

$$$$
Levosimendan.cdx
csChFnd80/04122413082D

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.6000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (33)
1204

>  <Formula> (33)
C14H12N6O

>  <MolWeight> (33)
280.28468

>  <Cat> (33)
S2446

>  <Name> (33)
Levosimendan

>  <Synonyms> (33)
OR1259,OR1855,Simsndan

>  <Target> (33)
Calcium Channel

>  <Form> (33)
free base

>  <CAS> (33)
141505-33-1

>  <URL> (33)
http://selleckchem.com/products/levosimendan.html

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/04122413082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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    2.4291    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.9073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4291    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    4.9073    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5039    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    5.6073    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4291    7.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    7.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    9.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    9.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    9.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 14 20  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  8  9  3  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (34)
1212

>  <Formula> (34)
C19H19N3O6

>  <MolWeight> (34)
385.37066

>  <Cat> (34)
S2721

>  <Name> (34)
Nilvadipine

>  <Synonyms> (34)
ARC029, FR34235,FK235

>  <Target> (34)
Calcium Channel

>  <Form> (34)
free base

>  <CAS> (34)
75530-68-6

>  <URL> (34)
http://selleckchem.com/products/nilvadipine-arc029.html

$$$$
Niflumic acid.cdx
csChFnd80/04122413082D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1876    4.3373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124    2.9373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (35)
1219

>  <Formula> (35)
C13H9F3N2O2

>  <MolWeight> (35)
282.2179696

>  <Cat> (35)
S3018

>  <Name> (35)
Niflumic acid

>  <Synonyms> (35)
Nifluril

>  <Target> (35)
COX,GABA Receptor

>  <Form> (35)
free base

>  <CAS> (35)
4394-00-7

>  <URL> (35)
http://selleckchem.com/products/niflumic-acid.html

$$$$
QNZ.cdx
csChFnd80/04122413082D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 21 22  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (36)
1263

>  <Formula> (36)
C22H20N4O

>  <MolWeight> (36)
356.4204

>  <Cat> (36)
S4902

>  <Name> (36)
QNZ (EVP4593)

>  <Synonyms> (36)
N/A

>  <Target> (36)
NF-¦ÊB,TNF-alpha

>  <Form> (36)
free base

>  <CAS> (36)
545380-34-5

>  <URL> (36)
http://selleckchem.com/products/qnz-evp4593.html

$$$$
methyclothiazide.cdx
csChFnd80/04122413082D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.6373    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.8497    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2844    5.3286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8431    6.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4249    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (37)
1269

>  <Formula> (37)
C9H11Cl2N3O4S2

>  <MolWeight> (37)
360.23734

>  <Cat> (37)
S4057

>  <Name> (37)
Methyclothiazide

>  <Synonyms> (37)
N/A

>  <Target> (37)
Others

>  <Form> (37)
free base

>  <CAS> (37)
135-07-9

>  <URL> (37)
http://selleckchem.com/products/methyclothiazide.html

$$$$
penfluridol.cdx
csChFnd80/04122413082D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.2106    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3050    6.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2540    8.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090    6.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7379    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4256    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3889    9.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6307   10.4273    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1369    3.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1369    6.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9337    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8321    2.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8572    4.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5449    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2387    4.8794    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7955    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
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 20 21  1  0  0  0  0
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 33 35  1  0  0  0  0
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M  END
>  <Mol_ID> (38)
1349

>  <Formula> (38)
C28H27ClF5NO

>  <MolWeight> (38)
523.965096

>  <Cat> (38)
S4151

>  <Name> (38)
Penfluridol

>  <Synonyms> (38)
TLP-607,R-16341

>  <Target> (38)
Dopamine Receptor

>  <Form> (38)
free base

>  <CAS> (38)
26864-56-2

>  <URL> (38)
http://selleckchem.com/products/penfluridol.html

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/04122413082D

 36 37  0  0  0  0  0  0  0  0999 V2000
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    6.0496    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    4.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9320    4.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196    5.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    4.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.1094    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2578    8.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.4094    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.5511    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
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 14 16  1  0  0  0  0
  2 17  1  0  0  0  0
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 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (39)
1372

>  <Formula> (39)
C26H30ClN3O6

>  <MolWeight> (39)
515.9859

>  <Cat> (39)
S4181

>  <Name> (39)
Nicardipine HCl

>  <Synonyms> (39)
RS-69216,YC-93

>  <Target> (39)
ADC Cytotoxin,Calcium Channel

>  <Form> (39)
Hydrochloride

>  <CAS> (39)
54527-84-3

>  <URL> (39)
http://selleckchem.com/products/nicardipine-hcl.html

$$$$
ifenprodil tartrate.cdx
csChFnd80/04122413082D

 58 61  0  0  0  0  0  0  0  0999 V2000
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    0.0000   12.6972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.9021    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496   10.5997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (40)
1389

>  <Formula> (40)
C46H60N2O10

>  <MolWeight> (40)
800.976

>  <Cat> (40)
S4091

>  <Name> (40)
Ifenprodil Tartrate

>  <Synonyms> (40)
N/A

>  <Target> (40)
NMDAR

>  <Form> (40)
Tartrate

>  <CAS> (40)
23210-58-4

>  <URL> (40)
http://selleckchem.com/products/ifenprodil-tartrate.html

$$$$
lomerizine hydrochloride.cdx
csChFnd80/04122413082D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (41)
1391

>  <Formula> (41)
C27H32Cl2F2N2O3

>  <MolWeight> (41)
541.4573864

>  <Cat> (41)
S4084

>  <Name> (41)
Lomerizine 2HCl

>  <Synonyms> (41)
KB-2796

>  <Target> (41)
Calcium Channel

>  <Form> (41)
Dihydrochloride

>  <CAS> (41)
101477-54-7

>  <URL> (41)
http://selleckchem.com/products/lomerizine-hcl.html

$$$$
Benzethonium chloride.cdx
csChFnd80/04122413082D

 31 31  0  0  0  0  0  0  0  0999 V2000
    4.4487    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    5.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    2.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    4.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1566    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3691    5.7636    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   16.5815    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4692    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2690    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7940    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0106    5.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2273    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2273    7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0106    7.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7940    7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    1.8148    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (42)
1399

>  <Formula> (42)
C27H42ClNO2

>  <MolWeight> (42)
448.08088

>  <Cat> (42)
S4162

>  <Name> (42)
Benzethonium Chloride

>  <Synonyms> (42)
N/A

>  <Target> (42)
AChR

>  <Form> (42)
Chloride

>  <CAS> (42)
121-54-0

>  <URL> (42)
http://selleckchem.com/products/benzethonium-chloride.html

$$$$
Verapamil HCl.cdx
csChFnd80/04122413082D

 34 34  0  0  0  0  0  0  0  0999 V2000
   21.2469    3.4392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    2.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    4.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    5.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.3880    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.2034    5.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    2.3880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4159    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4159    4.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.3880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4453    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5454    0.2431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2451    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7663    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6239    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    5.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8 19  1  0  0  0  0
 21  8  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 29 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 19 20  3  0  0  0  0
M  END
>  <Mol_ID> (43)
1438

>  <Formula> (43)
C27H39ClN2O4

>  <MolWeight> (43)
491.06256

>  <Cat> (43)
S4202

>  <Name> (43)
Verapamil (CP-16533-1) HCl

>  <Synonyms> (43)
(¡À)-Verapamil hydrochloride

>  <Target> (43)
Calcium Channel,P450 (e.g. CYP17),P-gp

>  <Form> (43)
Hydrochloride

>  <CAS> (43)
152-11-4

>  <URL> (43)
http://selleckchem.com/products/verapami-hcl.html

$$$$
Nisoldipine.cdx
csChFnd80/04122413082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    5.5078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    6.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    7.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.3176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    5.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4354    3.2273    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.4354    4.6273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6478    2.5273    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9204    6.2102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  2  9  1  0  0  0  0
  4 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  2  0  0  0  0
 20 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  2  0  0  0  0
 23 25  1  0  0  0  0
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 26 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (44)
1450

>  <Formula> (44)
C20H24N2O6

>  <MolWeight> (44)
388.41436

>  <Cat> (44)
S1748

>  <Name> (44)
Nisoldipine

>  <Synonyms> (44)
BAY K 5552

>  <Target> (44)
Calcium Channel

>  <Form> (44)
free base

>  <CAS> (44)
63675-72-9

>  <URL> (44)
http://selleckchem.com/products/Nisoldipine(Sular).html

$$$$
Flufenamic acid.cdx
csChFnd80/04122413082D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (45)
1466

>  <Formula> (45)
C14H10F3NO2

>  <MolWeight> (45)
281.2299096

>  <Cat> (45)
S4268

>  <Name> (45)
Flufenamic acid

>  <Synonyms> (45)
N/A

>  <Target> (45)
Immunology & Inflammation related

>  <Form> (45)
free base

>  <CAS> (45)
530-78-9

>  <URL> (45)
http://selleckchem.com/products/flufenamic-acid.html

$$$$
Vinblastine sulfate.cdx
csChFnd80/04122413082D

 67 74  0  0  0  0  0  0  0  0999 V2000
   10.3017    8.1853    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5141    8.8853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2230   10.2547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8307   10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2613    9.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8456    8.4527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8860    9.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5949   10.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2634   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    9.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6615   11.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3745   10.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    6.7853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (46)
1538

>  <Formula> (46)
C46H60N4O13S

>  <MolWeight> (46)
909.0526

>  <Cat> (46)
S4505

>  <Name> (46)
Vinblastine (NSC-49842) sulfate

>  <Synonyms> (46)
Vincaleukoblastine sulfate salt, 29060-LE, Exal, Velban, Velbe

>  <Target> (46)
AChR,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (46)
sulfate

>  <CAS> (46)
143-67-9

>  <URL> (46)
http://selleckchem.com/products/vinblastine-sulfate.html

$$$$
(-)-MK 801 maleate.cdx
csChFnd80/04122413082D

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M  END
>  <Mol_ID> (47)
1548

>  <Formula> (47)
C20H19NO4

>  <MolWeight> (47)
337.36916

>  <Cat> (47)
S2857

>  <Name> (47)
(-)-Dizocilpine (MK 801) Maleate

>  <Synonyms> (47)
C13737

>  <Target> (47)
NMDAR

>  <Form> (47)
maleate

>  <CAS> (47)
121917-57-5

>  <URL> (47)
http://selleckchem.com/products/--mk-801-maleate.html

$$$$
(-)-MK 801 maleate.cdx
csChFnd80/04122413082D

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M  END
>  <Mol_ID> (48)
1549

>  <Formula> (48)
C20H19NO4

>  <MolWeight> (48)
337.36916

>  <Cat> (48)
S2876

>  <Name> (48)
(+)-Dizocilpine (MK 801) Maleate

>  <Synonyms> (48)
N/A

>  <Target> (48)
NMDAR

>  <Form> (48)
maleate

>  <CAS> (48)
77086-22-7

>  <URL> (48)
http://selleckchem.com/products/mk-801-maleate.html

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/04122413082D

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   14.6112    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9112    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5113    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5113    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6112    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7113    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7112    4.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2950    1.4355    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  2  7  1  0  0  0  0
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  4 10  1  0  0  0  0
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  3 13  1  0  0  0  0
  5 22  1  0  0  0  0
  1 23  1  0  0  0  0
 24 25  1  0  0  0  0
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 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 36 37  2  0  0  0  0
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 28 30  1  0  0  0  0
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  9 45  1  0  0  0  0
M  END
>  <Mol_ID> (49)
1589

>  <Formula> (49)
C36H42ClN3O6

>  <MolWeight> (49)
648.18818

>  <Cat> (49)
S4597

>  <Name> (49)
Lercanidipine hydrochloride

>  <Synonyms> (49)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (49)
Calcium Channel

>  <Form> (49)
hydrochloride

>  <CAS> (49)
132866-11-6

>  <URL> (49)
http://selleckchem.com/products/lercanidipine-hydrochloride.html

$$$$
S4626 ETHOSUXIMIDE.cdx
csChFnd80/04122413082D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.1838    2.1437    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6200    0.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050    2.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1131    3.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    3.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0022    0.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852    2.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (50)
1606

>  <Formula> (50)
C7H11NO2

>  <MolWeight> (50)
141.16774

>  <Cat> (50)
S4626

>  <Name> (50)
Ethosuximide

>  <Synonyms> (50)
Zarontin

>  <Target> (50)
Calcium Channel

>  <Form> (50)
free base

>  <CAS> (50)
77-67-8

>  <URL> (50)
http://selleckchem.com/products/ethosuximide.html

$$$$

csChFnd80/04122413082D

 25 25  0  0  0  0  0  0  0  0999 V2000
    6.3991    2.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0468    3.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3322    5.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   25
?3.5H2O?
M  END
>  <Mol_ID> (51)
1644

>  <Formula> (51)
C14H9N4NaO5R

>  <MolWeight> (51)
336.23483

>  <Cat> (51)
S4648

>  <Name> (51)
Dantrolene sodium hemiheptahydrate

>  <Synonyms> (51)
Dantrolene sodium salt, Dantrium, Sodium dantrolene

>  <Target> (51)
Calcium Channel

>  <Form> (51)
Sodium salt hemiheptahydrate

>  <CAS> (51)
24868-20-0

>  <URL> (51)
https://www.selleckchem.com/products/dantrolene-sodium-s4648.html

$$$$
S4727 Cinnarizine.cdx
csChFnd80/04122413082D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
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 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (52)
1666

>  <Formula> (52)
C26H28N2

>  <MolWeight> (52)
368.51392

>  <Cat> (52)
S4727

>  <Name> (52)
Cinnarizine

>  <Synonyms> (52)
Stugeron, Dimitronal, Stutgin, Cinarizine

>  <Target> (52)
Calcium Channel

>  <Form> (52)
free base

>  <CAS> (52)
298-57-7

>  <URL> (52)
http://selleckchem.com/products/cinnarizine.html

$$$$
S4716 Evans Blue.cdx
csChFnd80/04122413082D

 62 67  0  0  0  0  0  0  0  0999 V2000
   23.0984    4.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7998    3.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7970    6.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6902    4.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.1900    6.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.9840    3.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2796    2.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8906    4.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813    6.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1066    7.2639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891    3.1213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    1.7214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2099    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    0.9015    6.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3262    7.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    8.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    8.4762    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 11  2  0  0  0  0
  9 15  1  0  0  0  0
  9 13  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
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 43 46  2  0  0  0  0
 44 47  1  0  0  0  0
 44 48  2  0  0  0  0
 46 47  1  0  0  0  0
 47 49  2  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
 49 52  1  0  0  0  0
 49 53  1  0  0  0  0
 50 54  1  0  0  0  0
 50 52  2  0  0  0  0
 53 55  2  0  0  0  0
 53 56  2  0  0  0  0
 53 57  1  0  0  0  0
 54 59  2  0  0  0  0
 54 60  2  0  0  0  0
 54 61  1  0  0  0  0
 18 19  1  0  0  0  0
 22 23  1  0  0  0  0
 57 58  1  0  0  0  0
 61 62  1  0  0  0  0
M  END
>  <Mol_ID> (53)
1667

>  <Formula> (53)
C34H24N6Na4O14S4

>  <MolWeight> (53)
960.80524

>  <Cat> (53)
S4716

>  <Name> (53)
Evans Blue

>  <Synonyms> (53)
Direct Blue 53,C.I.23860

>  <Target> (53)
GluR

>  <Form> (53)
sodium salt

>  <CAS> (53)
314-13-6

>  <URL> (53)
http://selleckchem.com/products/evans-blue.html

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/04122413082D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (54)
1669

>  <Formula> (54)
C10H7NO3

>  <MolWeight> (54)
189.16748

>  <Cat> (54)
S4719

>  <Name> (54)
Kynurenic acid

>  <Synonyms> (54)
Quinurenic acid, Kynurenate

>  <Target> (54)
NMDAR

>  <Form> (54)
free base

>  <CAS> (54)
492-27-3

>  <URL> (54)
http://selleckchem.com/products/kynurenic-acid.html

$$$$
S4714 (-)-Menthol.cdx
csChFnd80/04122413082D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6235    2.1002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6192    3.4946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4011    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    4.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017    2.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0480    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  1  0  0  0
M  END
>  <Mol_ID> (55)
1675

>  <Formula> (55)
C10H20O

>  <MolWeight> (55)
156.2652

>  <Cat> (55)
S4714

>  <Name> (55)
(-)-Menthol

>  <Synonyms> (55)
L-Menthol, Levomenthol, Menthomenthol, Menthacamphor

>  <Target> (55)
TRP Channel

>  <Form> (55)
free base

>  <CAS> (55)
2216-51-5

>  <URL> (55)
http://selleckchem.com/products/-menthol.html

$$$$
S3700 DHBP (dibromide).cdx
csChFnd80/04122413082D

 28 27  0  0  0  0  0  0  0  0999 V2000
   10.9532    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1656    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    2.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1656    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3812    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7138    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5606    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3859    4.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5983    2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5606    0.7746    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6049    4.2005    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8183    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0308    4.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2432    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4556    4.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6681    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8805    4.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0929    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1790    2.3289    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   15.8561    2.5476    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (56)
1722

>  <Formula> (56)
C24H38Br2N2

>  <MolWeight> (56)
514.37992

>  <Cat> (56)
S3700

>  <Name> (56)
DHBP dibromide

>  <Synonyms> (56)
1,1'-diheptyl-4,4'-bipyridinium dibromide

>  <Target> (56)
Calcium Channel,Dyes

>  <Form> (56)
dibromide

>  <CAS> (56)
6159-05-3

>  <URL> (56)
http://selleckchem.com/products/dhbp-dibromide.html

$$$$
S3674 Levamlodipine.cdx
csChFnd80/04122413082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.6198    2.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    2.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8053    2.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9910    0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198    0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8053    0.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3837    2.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1765    2.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8053    4.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    5.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1765    4.2506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3837    4.2506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2018    0.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981    2.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4126    2.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3837    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2143    4.9443    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0828    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6071    5.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4251    0.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    7.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8594    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6108    2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6233    0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6071    7.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8341    2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8053    7.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  1  2  0  0  0  0
  7  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  2  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  6  0  0  0
 13  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
 16  5  1  0  0  0  0
 12  7  2  0  0  0  0
 14  7  1  0  0  0  0
 11  8  2  0  0  0  0
 15  8  1  0  0  0  0
 10  9  1  0  0  0  0
 19  9  2  0  0  0  0
 17 10  1  0  0  0  0
 21 10  2  0  0  0  0
 20 13  1  0  0  0  0
 25 14  1  0  0  0  0
 23 15  1  0  0  0  0
 18 22  1  0  0  0  0
 26 19  1  0  0  0  0
 24 20  1  0  0  0  0
 28 21  1  0  0  0  0
 22 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (57)
1754

>  <Formula> (57)
C20H25ClN2O5

>  <MolWeight> (57)
408.8759

>  <Cat> (57)
S3674

>  <Name> (57)
Levamlodipine

>  <Synonyms> (57)
S-amlodipine

>  <Target> (57)
Calcium Channel

>  <Form> (57)
free base

>  <CAS> (57)
103129-82-4

>  <URL> (57)
http://selleckchem.com/products/levamlodipine.html

$$$$
S3653 Spermidine trihydrochloride.cdx
csChFnd80/04122413082D

 13  9  0  0  0  0  0  0  0  0999 V2000
    6.3484    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5609    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9236    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7111    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1982    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.0340    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0340    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.6340    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (58)
1790

>  <Formula> (58)
C7H22Cl3N3

>  <MolWeight> (58)
254.62868

>  <Cat> (58)
S3653

>  <Name> (58)
Spermidine trihydrochloride

>  <Synonyms> (58)
4-Azaoctamethylenediamine trihydrochloride

>  <Target> (58)
Autophagy,NMDAR

>  <Form> (58)
trihydrochloride

>  <CAS> (58)
334-50-9

>  <URL> (58)
http://selleckchem.com/products/spermidine-trihydrochloride.html

$$$$
S3682 Ethyl 3-Aminobenzoate methanesulfonate.cdx
csChFnd80/04122413082D

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.4398    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    4.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7468    1.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (59)
1801

>  <Formula> (59)
C10H15NO5S

>  <MolWeight> (59)
261.2948

>  <Cat> (59)
S3682

>  <Name> (59)
Ethyl 3-Aminobenzoate methanesulfonate

>  <Synonyms> (59)
Ethyl m-Aminobenzoate, NSC 93790, Tricaine methanesulfonate

>  <Target> (59)
Calcium Channel

>  <Form> (59)
methanesulfonate

>  <CAS> (59)
886-86-2

>  <URL> (59)
http://selleckchem.com/products/ethyl-3-aminobenzoate-methanesulfonate.html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/04122413082D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0606    5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6155    4.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    5.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.4228    5.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8235    7.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    3.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3471    4.6019    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  2  5  2  0  0  0  0
  4  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  2  0  0  0  0
 21  5  1  0  0  0  0
  8  6  1  0  0  0  0
 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
  7 10  2  0  0  0  0
 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  2  0  0  0  0
 22 11  1  0  0  0  0
 15 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 15 23  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (60)
1869

>  <Formula> (60)
C19H17NaO6S

>  <MolWeight> (60)
396.38945

>  <Cat> (60)
S3766

>  <Name> (60)
Tanshinone IIA sulfonate sodium

>  <Synonyms> (60)
N/A

>  <Target> (60)
Calcium Channel,P2 Receptor,P450 (e.g. CYP17)

>  <Form> (60)
sodium salt

>  <CAS> (60)
69659-80-9

>  <URL> (60)
http://selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3933 10-deacetyl-paclitaxel,10-DAT.cdx
csChFnd80/04122413082D

 61 67  0  0  0  0  0  0  0  0999 V2000
   16.6230    5.4612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7876    6.5983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0308    5.6314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8706    4.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8806    4.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4572    6.0801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3291    7.8902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3480    4.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7545    3.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1807    6.7916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3643    4.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7291    8.0447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.9402    9.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1393    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2517    1.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7807    6.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1366    5.8713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2862    9.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7807    9.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8348    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692   10.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4699   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    8.6946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2557    6.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412   10.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    8.0061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  1  0  0  0  0
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 14 23  1  0  0  0  0
 14 24  2  0  0  0  0
 18 25  1  0  0  0  0
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 25 32  2  0  0  0  0
 28 33  1  6  0  0  0
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 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
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 37 40  1  0  0  0  0
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 40 43  1  0  0  0  0
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 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
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 48 51  2  0  0  0  0
 49 52  1  0  0  0  0
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 50 54  2  0  0  0  0
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 55 57  1  0  0  0  0
 56 58  2  0  0  0  0
 57 59  2  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Mol_ID> (61)
1893

>  <Formula> (61)
C45H49NO13

>  <MolWeight> (61)
811.86946

>  <Cat> (61)
S3933

>  <Name> (61)
10-deacetyl-paclitaxel

>  <Synonyms> (61)
10-DAT, Deacetyl Paclitaxel

>  <Target> (61)
Others

>  <Form> (61)
free base

>  <CAS> (61)
78432-77-6

>  <URL> (61)
http://selleckchem.com/products/10-deacetyl-paclitaxel.html

$$$$
S3883 Protopine.cdx
csChFnd80/04122413082D

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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 13 25  2  0  0  0  0
 14 26  1  0  0  0  0
M  END
>  <Mol_ID> (62)
1920

>  <Formula> (62)
C20H19NO5

>  <MolWeight> (62)
353.36856

>  <Cat> (62)
S3883

>  <Name> (62)
Protopine

>  <Synonyms> (62)
Corydinine, Fumarine, Biflorine, Macleyine

>  <Target> (62)
ADC Cytotoxin,Calcium Channel

>  <Form> (62)
free base

>  <CAS> (62)
130-86-9

>  <URL> (62)
http://selleckchem.com/products/protopine.html

$$$$
S3809 Imperatorin.cdx
csChFnd80/04122413082D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.3622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1528    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808    5.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    3.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    5.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204    3.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7947    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0018    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8254    6.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0056    5.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2142    3.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (63)
1928

>  <Formula> (63)
C16H14O4

>  <MolWeight> (63)
270.27996

>  <Cat> (63)
S3809

>  <Name> (63)
Imperatorin

>  <Synonyms> (63)
Ammidin, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene

>  <Target> (63)
Calcium Channel

>  <Form> (63)
free base

>  <CAS> (63)
482-44-0

>  <URL> (63)
http://selleckchem.com/products/imperatorin.html

$$$$
S3931 Ginsenoside Rd.cdx
csChFnd80/04122413082D

 69 75  0  0  0  0  0  0  0  0999 V2000
   13.4161    8.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5923    7.7521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1667    7.7521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4161    9.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8733    8.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5923    6.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923    8.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    6.2925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9275    8.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923   10.6190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8733    9.8628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2069    8.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8733    7.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4161    5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9275    5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093    7.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5923   11.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2069   10.3669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0472    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093    6.2925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5156    4.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3918    4.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6164   11.6691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2819    6.3058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6796   13.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9818   11.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3984   12.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0649    5.6032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2819    7.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8896   13.7749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.9793   10.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0649    4.2022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    6.3052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0598    8.4162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0995   13.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8896   15.1720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.2815   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8515    3.5016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8490    7.7050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6349    5.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598    9.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3095   13.7749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0995   15.8706    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.6796   15.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2792   10.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    4.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8515    2.1016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6313    8.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8402   10.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3095   15.1720    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.5194   13.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0995   17.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6758   10.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9010    9.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    3.5013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6389    1.4015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0649    1.4010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5194   15.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7294   13.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    2.1009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2142    4.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4161    7.2271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    4.9484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8733   11.3015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 67  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  6  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 15  1  0  0  0  0
  8 68  1  6  0  0  0
  9 17  1  0  0  0  0
 11 18  1  1  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 69  1  1  0  0  0
 13 20  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 19 25  1  0  0  0  0
 19 20  1  1  0  0  0
 26 21  1  1  0  0  0
 25 27  1  1  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 32 27  1  1  0  0  0
 28 33  1  0  0  0  0
 30 34  1  6  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 40 34  1  1  0  0  0
 35 41  1  0  0  0  0
 35 42  1  1  0  0  0
 36 43  1  1  0  0  0
 36 41  1  0  0  0  0
 37 44  1  0  0  0  0
 38 45  1  0  0  0  0
 38 46  1  6  0  0  0
 39 47  2  0  0  0  0
 40 48  1  0  0  0  0
 40 49  1  0  0  0  0
 41 50  1  6  0  0  0
 43 51  1  0  0  0  0
 44 52  1  0  0  0  0
 44 53  1  1  0  0  0
 45 54  1  1  0  0  0
 45 52  1  0  0  0  0
 47 55  1  0  0  0  0
 47 56  1  0  0  0  0
 48 57  1  0  0  0  0
 49 58  1  0  0  0  0
 49 59  1  6  0  0  0
 52 60  1  6  0  0  0
 53 61  1  0  0  0  0
 57 62  1  0  0  0  0
 57 63  1  1  0  0  0
 58 64  1  1  0  0  0
 58 62  1  0  0  0  0
 62 65  1  6  0  0  0
 63 66  1  0  0  0  0
 22 21  1  1  0  0  0
M  END
>  <Mol_ID> (64)
1946

>  <Formula> (64)
C48H82O18

>  <MolWeight> (64)
947.15388

>  <Cat> (64)
S3931

>  <Name> (64)
Ginsenoside Rd

>  <Synonyms> (64)
Panaxoside Rd, Sanchinoside Rd

>  <Target> (64)
Calcium Channel,COX,NF-¦ÊB,NOS,P450 (e.g. CYP17)

>  <Form> (64)
free base

>  <CAS> (64)
52705-93-8

>  <URL> (64)
http://selleckchem.com/products/ginsenoside-rd.html

$$$$
Chlortetracycline HCl.cdx
csChFnd80/04122413082D

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.2888    5.8848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2888    4.4798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5023    6.5653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0863    6.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    3.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7155    5.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    7.9653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    5.8848    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8709    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9279    6.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    8.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2898    8.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    6.5653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6558    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9306    3.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510    7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606    7.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1435    4.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9306    2.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    6.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    7.9653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5522    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 34  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 13  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 13 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  6  0  0  0
 18 23  1  1  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  1  0  0  0  0
 21 24  2  0  0  0  0
 24 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (65)
1994

>  <Formula> (65)
C22H24Cl2N2O8

>  <MolWeight> (65)
515.34056

>  <Cat> (65)
S4156

>  <Name> (65)
Chlortetracycline HCl (NSC 13252)

>  <Synonyms> (65)
7-Chlorotetracycline HCl, Aureomycin monohydrochloride

>  <Target> (65)
Antibiotics,Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (65)
Hydrochloride

>  <CAS> (65)
64-72-2

>  <URL> (65)
http://selleckchem.com/products/chlortetracycline-hcl.html

$$$$
S4931 Propiverine hydrochloride.cdx
csChFnd80/04122413082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    7.3099    3.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    4.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6099    5.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975    3.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0099    2.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7058    3.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    6.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3056    6.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086    5.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    3.9747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975    1.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4099    2.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7454    6.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5091    6.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726    3.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1099    1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2078    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397    3.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5099    1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    3.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517    1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    1.8658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5481    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (66)
2140

>  <Formula> (66)
C23H30ClNO3

>  <MolWeight> (66)
403.9422

>  <Cat> (66)
S4931

>  <Name> (66)
Propiverine hydrochloride

>  <Synonyms> (66)
N/A

>  <Target> (66)
AChR,Calcium Channel

>  <Form> (66)
HCl

>  <CAS> (66)
54556-98-8

>  <URL> (66)
http://selleckchem.com/products/propiverine-hydrochloride.html

$$$$
S4977 Efonidipine.cdx
csChFnd80/04122413082D

 45 49  0  0  0  0  0  0  0  0999 V2000
   12.3119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.6746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  2  0  0  0  0
 12 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 12  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 18 32  1  0  0  0  0
 20 33  1  0  0  0  0
 17 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  1  0  0  0  0
 28 42  1  0  0  0  0
 34 45  2  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (67)
2198

>  <Formula> (67)
C34H38N3O7P

>  <MolWeight> (67)
631.655181

>  <Cat> (67)
S4977

>  <Name> (67)
Efonidipine

>  <Synonyms> (67)
NZ-105

>  <Target> (67)
Calcium Channel

>  <Form> (67)
free base

>  <CAS> (67)
111011-63-3

>  <URL> (67)
http://selleckchem.com/products/efonidipine.html

$$$$
Gabapentin hcl.cdx
csChFnd80/04122413082D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689    4.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    2.4150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (68)
2335

>  <Formula> (68)
C9H18ClNO2

>  <MolWeight> (68)
207.69772

>  <Cat> (68)
S1338

>  <Name> (68)
Gabapentin HCl

>  <Synonyms> (68)
Neurontin HCl

>  <Target> (68)
GABA Receptor

>  <Form> (68)
Hydrochloride

>  <CAS> (68)
60142-95-2

>  <URL> (68)
http://selleckchem.com/products/Gabapentin.html

$$$$
NEURONTIN (gabapentin).cdx
csChFnd80/04122413082D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (69)
2372

>  <Formula> (69)
C9H17NO2

>  <MolWeight> (69)
171.23678

>  <Cat> (69)
S2133

>  <Name> (69)
Gabapentin

>  <Synonyms> (69)
N/A

>  <Target> (69)
GABA Receptor

>  <Form> (69)
Free Base

>  <CAS> (69)
60142-96-3

>  <URL> (69)
http://selleckchem.com/products/Gabapentin(Neurontin).html

$$$$
(-)-Huperzine A.cdx
csChFnd80/04122413082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    4.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014    4.9854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6513    2.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    6.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    7.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    6.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    5.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637    2.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 10  5  1  0  0  0  0
  3 13  1  6  0  0  0
  5 14  1  1  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (70)
2376

>  <Formula> (70)
C15H18N2O

>  <MolWeight> (70)
242.31622

>  <Cat> (70)
S2251

>  <Name> (70)
(-)-Huperzine A (HupA)

>  <Synonyms> (70)
N/A

>  <Target> (70)
AChR,GluR

>  <Form> (70)
Free Base

>  <CAS> (70)
102518-79-6

>  <URL> (70)
http://selleckchem.com/products/(-)-Huperzine-A.html

$$$$
Neomycin sulfate.cdx
csChFnd80/04122413082D

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.2082   11.0639    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    9.6639    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.9639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    9.6639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331   11.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.7639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207   13.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9413    5.3290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6413    6.5415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9413    7.7539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4462    6.5415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6389    4.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365    6.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6389    8.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8618    7.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1933    9.6621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8618   10.0948    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4307   11.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3220   10.4822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1761    6.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5965    8.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8089    7.8147    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0214    8.5147    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0214    9.9147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8089   10.6147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8089   12.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2296    7.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7339    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  1  0  0  0
  2  8  1  1  0  0  0
  1  9  1  6  0  0  0
  3 10  1  6  0  0  0
  7 11  1  0  0  0  0
  4 12  1  0  0  0  0
 13 12  1  1  0  0  0
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 18 13  1  0  0  0  0
 14 19  1  6  0  0  0
 16 20  1  6  0  0  0
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 22 23  1  0  0  0  0
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 27 23  1  0  0  0  0
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 26 29  1  6  0  0  0
 25 30  1  1  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 37 38  1  6  0  0  0
 35 39  1  6  0  0  0
 34 40  1  6  0  0  0
 36 41  1  1  0  0  0
 40 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 43 47  1  0  0  0  0
M  END
>  <Mol_ID> (71)
2394

>  <Formula> (71)
C23H48N6O17S

>  <MolWeight> (71)
712.72222

>  <Cat> (71)
S2568

>  <Name> (71)
Neomycin sulfate

>  <Synonyms> (71)
Framycin sulfate

>  <Target> (71)
Antibiotics,Antibiotics for Mammalian Cell Culture,Antineoplastic and Immunosuppressive Antibiotics,Bacterial,Selection Antibiotics for Transfected Cell

>  <Form> (71)
Sulfate

>  <CAS> (71)
28002-70-2 ,1405-10-3

>  <URL> (71)
http://selleckchem.com/products/Neomycin-sulfate.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/04122413082D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3242    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  3  1  0  0  0  0
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  8 12  1  0  0  0  0
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  4 15  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
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M  END
>  <Mol_ID> (72)
2404

>  <Formula> (72)
C23H14Na2O11

>  <MolWeight> (72)
512.3302

>  <Cat> (72)
S1911

>  <Name> (72)
Disodium Cromoglycate

>  <Synonyms> (72)
Gynazole ,FPL 670 (Cromolyn) Disodium,Cromolyn sodium

>  <Target> (72)
Calcium Channel

>  <Form> (72)
Disodium Salt

>  <CAS> (72)
15826-37-6

>  <URL> (72)
http://selleckchem.com/products/disodium-Cromoglycate.html

$$$$
terfenadine.cdx
csChFnd80/04122413082D

 35 38  0  0  0  0  0  0  0  0999 V2000
    3.5000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.7751    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    0.5627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    3.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
 23 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 23  1  0  0  0  0
M  END
>  <Mol_ID> (73)
2635

>  <Formula> (73)
C32H41NO2

>  <MolWeight> (73)
471.67344

>  <Cat> (73)
S4353

>  <Name> (73)
Terfenadine

>  <Synonyms> (73)
N/A

>  <Target> (73)
Calcium Channel,Caspase,Histamine Receptor,NCX,Potassium Channel

>  <Form> (73)
Free Base

>  <CAS> (73)
50679-08-8

>  <URL> (73)
http://www.selleckchem.com/products/terfenadine.html

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/04122413082D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.8438    2.7995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4259    2.7995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1370    4.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2133    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6935    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6935    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2686    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6935    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9059    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9059    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4811    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1183    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3308    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5432    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3308    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  4  6  1  0  0  0  0
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 10  6  1  0  0  0  0
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>  <Mol_ID> (74)
2726

>  <Formula> (74)
C15H26N2O5

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314.37734

>  <Cat> (74)
S7392

>  <Name> (74)
Loxistatin Acid (E-64C)

>  <Synonyms> (74)
NSC 694279, EP 475

>  <Target> (74)
COVID-19,Cysteine Protease

>  <Form> (74)
free base

>  <CAS> (74)
76684-89-4

>  <URL> (74)
http://selleckchem.com/products/loxistatin-acid-e-64c.html

$$$$
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csChFnd80/04122413082D

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>  <Mol_ID> (75)
3071

>  <Formula> (75)
C16H15F3N2O4

>  <MolWeight> (75)
356.2965096

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S7924

>  <Name> (75)
Bay K 8644

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N/A

>  <Target> (75)
Calcium Channel

>  <Form> (75)
free base

>  <CAS> (75)
71145-03-4

>  <URL> (75)
http://selleckchem.com/products/bay-k-8644.html

$$$$
SKF96365.cdx
csChFnd80/04122413082D

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>  <Mol_ID> (76)
3133

>  <Formula> (76)
C22H27ClN2O3

>  <MolWeight> (76)
402.91438

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S7999

>  <Name> (76)
SKF96365

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N/A

>  <Target> (76)
TRP Channel

>  <Form> (76)
hydrochloride

>  <CAS> (76)
130495-35-1

>  <URL> (76)
http://selleckchem.com/products/skf96365.html

$$$$
YM-58483 (BTP2).cdx
csChFnd80/04122413082D

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>  <Mol_ID> (77)
3241

>  <Formula> (77)
C15H9F6N5OS

>  <MolWeight> (77)
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S8380

>  <Name> (77)
YM-58483 (BTP2)

>  <Synonyms> (77)
N/A

>  <Target> (77)
Calcium Channel

>  <Form> (77)
free base

>  <CAS> (77)
223499-30-7

>  <URL> (77)
http://selleckchem.com/products/ym-58483-btp2.html

$$$$
ML-7.cdx
csChFnd80/04122413082D

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>  <Mol_ID> (78)
3251

>  <Formula> (78)
C15H18ClIN2O2S

>  <MolWeight> (78)
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>  <Name> (78)
ML-7 HCl

>  <Synonyms> (78)
N/A

>  <Target> (78)
MLCK,PKA,PKC

>  <Form> (78)
hydrochloride

>  <CAS> (78)
110448-33-4

>  <URL> (78)
http://selleckchem.com/products/ml-7.html

$$$$
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csChFnd80/04122413082D

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A   23
xH2O
M  END
>  <Mol_ID> (79)
3318

>  <Formula> (79)
C14H18ClN3O3RS

>  <MolWeight> (79)
343.82902

>  <Cat> (79)
S8208

>  <Name> (79)
Hydroxyfasudil (HA-1100) HCl

>  <Synonyms> (79)
N/A

>  <Target> (79)
ROCK

>  <Form> (79)
hydrochloride

>  <CAS> (79)
155558-32-0 (HCl salt)

>  <URL> (79)
http://selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
ML204.cdx
csChFnd80/04122413082D

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M  END
>  <Mol_ID> (80)
3516

>  <Formula> (80)
C15H18N2

>  <MolWeight> (80)
226.31682

>  <Cat> (80)
S8691

>  <Name> (80)
ML204

>  <Synonyms> (80)
N/A

>  <Target> (80)
TRP Channel

>  <Form> (80)
free base

>  <CAS> (80)
5465-86-1

>  <URL> (80)
http://selleckchem.com/products/ml204.html

$$$$
S5164 Chlorotetracycline.cdx
csChFnd80/04122413082D

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M  END
>  <Mol_ID> (81)
3519

>  <Formula> (81)
C22H23ClN2O8

>  <MolWeight> (81)
478.87962

>  <Cat> (81)
S5164

>  <Name> (81)
Chlorotetracycline

>  <Synonyms> (81)
N/A

>  <Target> (81)
Anti-infection

>  <Form> (81)
free base

>  <CAS> (81)
57-62-5

>  <URL> (81)
http://selleckchem.com/products/chlorotetracycline.html

$$$$
S4957 Linalool.cdx
csChFnd80/04122413082D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (82)
3589

>  <Formula> (82)
C10H18O

>  <MolWeight> (82)
154.24932

>  <Cat> (82)
S4957

>  <Name> (82)
Linalool

>  <Synonyms> (82)
Phantol

>  <Target> (82)
NMDAR

>  <Form> (82)
free base

>  <CAS> (82)
78-70-6

>  <URL> (82)
http://selleckchem.com/products/linalool.html

$$$$
S5032 Mephenesin.cdx
csChFnd80/04122413082D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (83)
3607

>  <Formula> (83)
C10H14O3

>  <MolWeight> (83)
182.21636

>  <Cat> (83)
S5032

>  <Name> (83)
Mephenesin

>  <Synonyms> (83)
Decontractyl, Cresoxydiol, Memphenesin, Mephedan

>  <Target> (83)
NMDAR

>  <Form> (83)
free base

>  <CAS> (83)
59-47-2

>  <URL> (83)
http://selleckchem.com/products/mephenesin.html

$$$$
S5042 Bevantolol hydrochloride.cdx
csChFnd80/04122413082D

 26 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (84)
3610

>  <Formula> (84)
C20H28ClNO4

>  <MolWeight> (84)
381.89362

>  <Cat> (84)
S5042

>  <Name> (84)
Bevantolol hydrochloride

>  <Synonyms> (84)
NC-1400 hydrochloride

>  <Target> (84)
Adrenergic Receptor

>  <Form> (84)
hydrochloride

>  <CAS> (84)
42864-78-8

>  <URL> (84)
http://selleckchem.com/products/bevantolol-hydrochloride.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/04122413082D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    8.4667    3.4789    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6753    2.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667    4.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6753    1.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8882    3.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8881    0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1008    2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1009    1.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2031    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
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 13 16  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (85)
3688

>  <Formula> (85)
C23H26ClN

>  <MolWeight> (85)
351.91224

>  <Cat> (85)
S5279

>  <Name> (85)
Fendiline hydrochloride

>  <Synonyms> (85)
N/A

>  <Target> (85)
Calcium Channel,Ras

>  <Form> (85)
hydrochloride

>  <CAS> (85)
13636-18-5

>  <URL> (85)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
S5514 Lanthanum(III) chloride heptahydrate.cdx
csChFnd80/04122413082D

 11  3  0  0  0  0  0  0  0  0999 V2000
    9.0543    1.4000    0.0000 La  0  0  0  0  0  0  0  0  0  0  0  0
    7.8325    2.0905    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2412    2.0650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0543    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   13.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   13.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   11.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END
>  <Mol_ID> (86)
3849

>  <Formula> (86)
Cl3H14LaO7

>  <MolWeight> (86)
371.37146

>  <Cat> (86)
S5514

>  <Name> (86)
Lanthanum(III) chloride heptahydrate

>  <Synonyms> (86)
N/A

>  <Target> (86)
Calcium Channel

>  <Form> (86)
salt

>  <CAS> (86)
10025-84-0

>  <URL> (86)
http://selleckchem.com/products/lanthanum-iii-chloride-heptahydrate.html

$$$$
S5567 Trimethadione.cdx
csChFnd80/04122413082D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    3.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1110    3.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442    0.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (87)
3879

>  <Formula> (87)
C6H9NO3

>  <MolWeight> (87)
143.14056

>  <Cat> (87)
S5567

>  <Name> (87)
Trimethadione

>  <Synonyms> (87)
N/A

>  <Target> (87)
Calcium Channel

>  <CAS> (87)
127-48-0

>  <URL> (87)
http://selleckchem.com/products/trimethadione.html

$$$$
S5255 Nicardipine.cdx
csChFnd80/04122413082D

 35 37  0  0  0  0  0  0  0  0999 V2000
    4.8701    5.6043    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8701    4.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    6.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6459    6.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0851    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    7.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6459    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    5.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0851    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8642    8.4153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2836    8.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    6.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    4.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    6.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8825    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519    2.1044    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9216    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1342    5.5986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3467    6.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1342    4.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5592    5.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7633    6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5592    4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9691    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686    3.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9691    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  2  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 20  2  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <Mol_ID> (88)
3980

>  <Formula> (88)
C26H29N3O6

>  <MolWeight> (88)
479.52496

>  <Cat> (88)
S5255

>  <Name> (88)
Nicardipine

>  <Synonyms> (88)
YC-93

>  <Target> (88)
Calcium Channel

>  <CAS> (88)
55985-32-5

>  <URL> (88)
https://www.selleckchem.com/products/nicardipine.html

$$$$
S9400 Rhynchophylline.cdx
csChFnd80/04122413082D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.6631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5790    1.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    0.3978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5692    0.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0563    3.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0463    4.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    4.3087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    3.0938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2095    2.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2803    3.0297    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2803    4.2445    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2837    4.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    4.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3845    4.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3845    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3139    2.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3139    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5163    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    1.6938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7368    4.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  5  1  6  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  6  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 16 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 19 27  1  0  0  0  0
 14 28  1  6  0  0  0
 20 29  1  0  0  0  0
M  END
>  <Mol_ID> (89)
4027

>  <Formula> (89)
C22H28N2O4

>  <MolWeight> (89)
384.46872

>  <Cat> (89)
S9400

>  <Name> (89)
Rhynchophylline

>  <Synonyms> (89)
Mitrinermine

>  <Target> (89)
Calcium Channel

>  <Form> (89)
free base

>  <CAS> (89)
76-66-4

>  <URL> (89)
https://www.selleckchem.com/products/rhynchophylline.html

$$$$
S9409 Kavain.cdx
csChFnd80/04122413082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8364    2.7961    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6156    2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8364    4.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0369    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    2.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    4.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    2.0845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    6.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492    0.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6695    2.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8915    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8957    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (90)
4036

>  <Formula> (90)
C14H14O3

>  <MolWeight> (90)
230.25916

>  <Cat> (90)
S9409

>  <Name> (90)
Kavain

>  <Synonyms> (90)
(+)-Kavain

>  <Target> (90)
GABA Receptor

>  <Form> (90)
free base

>  <CAS> (90)
500-64-1

>  <URL> (90)
https://www.selleckchem.com/products/kavain.html

$$$$

csChFnd80/04122413082D

 45 48  0  0  0  0  0  0  0  0999 V2000
    4.8954    2.8655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8954    4.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1025    2.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (91)
4088

>  <Formula> (91)
C36H41N3O6

>  <MolWeight> (91)
611.72724

>  <Cat> (91)
S5861

>  <Name> (91)
Lercanidipine

>  <Synonyms> (91)
N/A

>  <Target> (91)
Calcium Channel

>  <Form> (91)
Free Base

>  <CAS> (91)
100427-26-7

>  <URL> (91)
http://www.selleckchem.com/products/lercanidipine.html

$$$$
S9100 Fraxinellone.cdx
csChFnd80/04122413082D

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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  6  0  0  0
  2  7  1  0  0  0  0
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  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
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M  END
>  <Mol_ID> (92)
4235

>  <Formula> (92)
C14H16O3

>  <MolWeight> (92)
232.27504

>  <Cat> (92)
S9100

>  <Name> (92)
Fraxinellone

>  <Target> (92)
Immunology & Inflammation related

>  <Form> (92)
free base

>  <CAS> (92)
28808-62-0

>  <URL> (92)
https://www.selleckchem.com/products/fraxinellone.html

$$$$
S9141 Berbamine.cdx
csChFnd80/04122413082D

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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
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M  END
>  <Mol_ID> (93)
4269

>  <Formula> (93)
C37H40N2O6

>  <MolWeight> (93)
608.7233

>  <Cat> (93)
S9141

>  <Name> (93)
Berbamine

>  <Synonyms> (93)
BA, BBM

>  <Target> (93)
Apoptosis related,Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (93)
free base

>  <CAS> (93)
478-61-5

>  <URL> (93)
https://www.selleckchem.com/products/berbamine.html

$$$$
S9151 Praeruptorin E.cdx
csChFnd80/04122413082D

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 12  2  2  0  0  0  0
 22 24  1  0  0  0  0
  5 11  2  0  0  0  0
 19 25  1  0  0  0  0
  2  3  1  0  0  0  0
 25 26  1  0  0  0  0
  3  4  2  0  0  0  0
 26 27  1  0  0  0  0
  4  5  1  0  0  0  0
 26 28  2  0  0  0  0
 11 15  1  0  0  0  0
 28 29  1  0  0  0  0
 12  1  1  0  0  0  0
 25 30  2  0  0  0  0
  1 13  1  0  0  0  0
 20 31  2  0  0  0  0
M  END
>  <Mol_ID> (94)
4276

>  <Formula> (94)
C24H28O7

>  <MolWeight> (94)
428.47492

>  <Cat> (94)
S9151

>  <Name> (94)
Praeruptorin E

>  <Target> (94)
Calcium Channel

>  <Form> (94)
free base

>  <CAS> (94)
78478-28-1

>  <URL> (94)
https://www.selleckchem.com/products/praeruptorin-e.html

$$$$
S9179 Catharanthine hemitartrate.cdx
csChFnd80/04122413082D

 37 40  0  0  0  0  0  0  0  0999 V2000
    5.7877    8.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3885    9.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1021   10.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    8.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9325    9.5262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1709   10.9095    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.1568    8.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8178    7.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6553   10.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213    9.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1568    7.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7877    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9926   11.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0121    6.7912    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5225   11.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3760   11.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424    6.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4288    9.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172   11.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9699    9.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3567    5.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7486    9.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3815   11.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0278    5.2966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9325    8.2699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6041    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8165    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3916    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0289    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6041    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2414    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054    6.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12  1  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
 14 25  1  6  0  0  0
  5 26  1  1  0  0  0
  6 15  1  0  0  0  0
  7 11  2  0  0  0  0
 13 16  1  0  0  0  0
  9 10  2  0  0  0  0
 23 24  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  1  8  1  1  0  0  0
  9  3  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 29  2  0  0  0  0
 33 27  1  0  0  0  0
 34 28  1  0  0  0  0
 35 30  1  0  0  0  0
 36 29  1  0  0  0  0
  8 37  2  0  0  0  0
M  END
>  <Mol_ID> (95)
4296

>  <Formula> (95)
C25H30N2O8

>  <MolWeight> (95)
486.5143

>  <Cat> (95)
S9179

>  <Name> (95)
Catharanthine hemitartrate

>  <Target> (95)
AChR

>  <Form> (95)
free base

>  <CAS> (95)
4168-17-6

>  <URL> (95)
https://www.selleckchem.com/products/catharanthine-hemitartrate.html

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/04122413082D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8789    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807    4.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6534    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6683    4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    4.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    6.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7744    5.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    7.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4573    7.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820    7.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992    6.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    8.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992    4.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117    8.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 16 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (96)
4398

>  <Formula> (96)
C21H22O7

>  <MolWeight> (96)
386.39518

>  <Cat> (96)
S9315

>  <Name> (96)
Praeruptorin A

>  <Target> (96)
Akt,Calcium Channel,p38 MAPK

>  <Form> (96)
free base

>  <CAS> (96)
73069-25-7

>  <URL> (96)
https://www.selleckchem.com/products/praeruptorin-a-1.html

$$$$
S5478 Dantrolene sodium.cdx
csChFnd80/04122413082D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0763    4.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8664    3.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3513    3.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2239    5.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8664    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2876    4.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5892    5.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6463    1.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6743    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5535    5.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    1.3848    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.9391    5.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0894    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9365    6.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6411    4.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1965    5.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9726    4.3498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9178    2.9106    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.4429    6.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7285    2.8608    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (97)
4475

>  <Formula> (97)
C14H9N4NaO5

>  <MolWeight> (97)
336.23483

>  <Cat> (97)
S5478

>  <Name> (97)
Dantrolene sodium

>  <Synonyms> (97)
F 440

>  <Target> (97)
ADC Cytotoxin,Calcium Channel

>  <Form> (97)
free base

>  <CAS> (97)
14663-23-1

>  <URL> (97)
https://www.selleckchem.com/products/s5478-dantrolene-sodium.html

$$$$
S5664 Orphenadrine Hydrochloride.cdx
csChFnd80/04122413082D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6255    2.8446    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4131    2.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    2.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    4.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647    0.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1989    2.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476    2.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408    0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    4.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    0.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472    4.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0212    0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2581    4.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2581    6.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4713    4.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7543    2.2188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (98)
4515

>  <Formula> (98)
C18H24ClNO

>  <MolWeight> (98)
305.84226

>  <Cat> (98)
S5664

>  <Name> (98)
Orphenadrine Hydrochloride

>  <Target> (98)
NMDAR

>  <Form> (98)
free base

>  <CAS> (98)
341-69-5

>  <URL> (98)
https://www.selleckchem.com/products/orphenadrine-hydrochloride.html

$$$$

csChFnd80/04122413082D

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.2645    3.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576    4.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    4.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2645    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576    5.5915    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6955    3.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    5.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449    4.1978    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9110    4.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6955    2.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    3.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
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 10 14  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (99)
4621

>  <Formula> (99)
C13H12Cl2O4

>  <MolWeight> (99)
303.13798

>  <Cat> (99)
S5561

>  <Name> (99)
Ethacrynic Acid

>  <Synonyms> (99)
N/A

>  <Target> (99)
Others

>  <Form> (99)
Free Base

>  <CAS> (99)
58-54-8

>  <URL> (99)
http://www.selleckchem.com/products/ethacrynic-acid.html

$$$$

csChFnd80/04122413082D

 39 41  0  0  0  0  0  0  0  0999 V2000
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   21.1678    5.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2126    0.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5404    4.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4 10  2  0  0  0  0
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 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
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 13 18  1  0  0  0  0
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 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 21 25  2  0  0  0  0
 21 26  2  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
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 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
>  <Mol_ID> (100)
4703

>  <Formula> (100)
C31H44N2O5S

>  <MolWeight> (100)
556.75646

>  <Cat> (100)
S5787

>  <Name> (100)
Dronedarone

>  <Synonyms> (100)
SR33589

>  <Target> (100)
Adrenergic Receptor

>  <Form> (100)
Free Base

>  <CAS> (100)
141626-36-0

>  <URL> (100)
http://www.selleckchem.com/products/dronedarone.html

$$$$

csChFnd80/04122413082D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4218    2.9099    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.9289    1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (101)
4763

>  <Formula> (101)
C11H22ClN

>  <MolWeight> (101)
203.75208

>  <Cat> (101)
S9459

>  <Name> (101)
Mecamylamine Hydrochloride

>  <Synonyms> (101)
N/A

>  <Target> (101)
AChR

>  <Form> (101)
Hydrochloride

>  <CAS> (101)
826-39-1

>  <URL> (101)
N/A

$$$$

csChFnd80/04122413082D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.8549    6.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8549    4.9030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0678    7.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6216    7.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  3  2  0  0  0  0
  4  8  1  1  0  0  0
  6  4  1  0  0  0  0
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 18  5  1  0  0  0  0
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 25  6  1  0  0  0  0
 26  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 16 10  1  0  0  0  0
 19 10  2  0  0  0  0
 21 11  2  0  0  0  0
 17 11  1  0  0  0  0
 13 12  1  0  0  0  0
 20 13  2  0  0  0  0
 24 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 15  2  0  0  0  0
 23 16  2  0  0  0  0
 27 16  1  0  0  0  0
 22 18  2  0  0  0  0
 29 23  1  0  0  0  0
 28 24  1  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
M  END
>  <Mol_ID> (102)
4784

>  <Formula> (102)
C24H28O7

>  <MolWeight> (102)
428.47492

>  <Cat> (102)
S9487

>  <Name> (102)
Praeruptorin C

>  <Synonyms> (102)
N/A

>  <Target> (102)
Others

>  <Form> (102)
Free Base

>  <CAS> (102)
72463-77-5

>  <URL> (102)
http://www.selleckchem.com/products/praeruptorin-c.html

$$$$

csChFnd80/04122413082D

 29 29  0  0  0  0  0  0  0  0999 V2000
    8.4870    3.1378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (103)
4803

>  <Formula> (103)
C24H37ClN2O2

>  <MolWeight> (103)
421.01578

>  <Cat> (103)
S9566

>  <Name> (103)
Bepridil hydrochloride

>  <Synonyms> (103)
CERM 1978

>  <Target> (103)
Calcium Channel

>  <Form> (103)
hydrochloride

>  <CAS> (103)
74764-40-2

>  <URL> (103)
http://www.selleckchem.com/products/bepridil-hydrochloride.html

$$$$

csChFnd80/04122413082D

 11  9  0  0  0  0  0  0  0  0999 V2000
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    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8098    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3664    4.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    1.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7973    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  2 10  2  0  0  0  0
M  END
>  <Mol_ID> (104)
5095

>  <Formula> (104)
C7H16ClNO2

>  <MolWeight> (104)
181.66044

>  <Cat> (104)
S1805

>  <Name> (104)
Acetylcholine Chloride

>  <Synonyms> (104)
ACh chloride

>  <Target> (104)
AChR

>  <Form> (104)
Chloride

>  <CAS> (104)
60-31-1

>  <URL> (104)
http://www.selleck.cn/products/Acetylcholine-chloride.html

$$$$

csChFnd80/04122413082D

 46 52  0  0  0  0  0  0  0  0999 V2000
    1.2124   10.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   13.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1832    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7686   11.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1935    8.4705    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.4059   10.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1935   11.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    8.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3480   11.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3480   12.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7061    8.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 37  1  0  0  0  0
 39 32  1  1  0  0  0
 40 43  1  0  0  0  0
 33 44  1  0  0  0  0
 44 45  1  0  0  0  0
 46 34  1  0  0  0  0
 46  4  1  0  0  0  0
M  END
>  <Mol_ID> (105)
5112

>  <Formula> (105)
C38H42N2O6

>  <MolWeight> (105)
622.74988

>  <Cat> (105)
S2403

>  <Name> (105)
Tetrandrine (NSC-77037)

>  <Synonyms> (105)
Fanchinine, d-Tetrandrine

>  <Target> (105)
Calcium Channel

>  <Form> (105)
Free Base

>  <CAS> (105)
518-34-3

>  <URL> (105)
http://www.selleck.cn/products/Tetrandrine-Fanchinine.html

$$$$

csChFnd80/04122413082D

 23 26  0  0  0  0  0  0  0  0999 V2000
    3.7531    4.5643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5843    3.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1758    5.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    2.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072    4.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7698    2.2991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9842    3.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431    6.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6820    2.2344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9659    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875    5.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103    2.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0525    2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3331    7.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8547    5.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3197    0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2775    6.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6447    7.1036    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (106)
5154

>  <Formula> (106)
C19H20ClN3

>  <MolWeight> (106)
325.8352

>  <Cat> (106)
S6410

>  <Name> (106)
Clemizole

>  <Synonyms> (106)
N/A

>  <Target> (106)
Dopamine Receptor,TRP Channel

>  <Form> (106)
Free Base

>  <CAS> (106)
442-52-4

>  <URL> (106)
http://www.selleck.cn/products/clemizole.html

$$$$

csChFnd80/04122413082D

 33 35  0  0  0  0  0  0  0  0999 V2000
   11.0749    2.3537    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.5464    3.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3375    1.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3249    2.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8624    3.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9226    3.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7215    0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7315    0.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    2.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7193    2.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3711    5.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0081    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4329    3.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0832    3.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4785    6.3615    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    8.1534    0.3050    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    5.0068    3.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7938    2.3429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5813    3.0429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3689    2.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3689    0.9429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5813    0.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7938    0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5680    1.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1004    3.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 26 31  1  0  0  0  0
 31 28  1  0  0  0  0
 27 32  1  0  0  0  0
 27 33  1  0  0  0  0
M  END
>  <Mol_ID> (107)
5208

>  <Formula> (107)
C26H41Br2NO4

>  <MolWeight> (107)
591.41604

>  <Cat> (107)
S6473

>  <Name> (107)
Pinaverium bromide

>  <Synonyms> (107)
Icosapentaenoic acid

>  <Target> (107)
Calcium Channel

>  <Form> (107)
bromide

>  <CAS> (107)
53251-94-8

>  <URL> (107)
http://www.selleck.cn/products/pinaverium-bromide.html

$$$$

csChFnd80/04122413082D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.9200    7.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2801    7.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3629    8.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0888    9.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1838    8.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5365    9.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5365   11.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7448    9.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9531    9.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1655    9.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3779    9.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3781   11.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1656   11.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5862    9.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2839   10.2220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8886    7.8054    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7945    8.3161    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7925    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 19  1  0  0  0  0
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M  END
>  <Mol_ID> (108)
6615

>  <Formula> (108)
C26H28F3N3O2

>  <MolWeight> (108)
471.5146296

>  <Cat> (108)
S6637

>  <Name> (108)
HC-067047

>  <Synonyms> (108)
N/A

>  <Target> (108)
TRP Channel

>  <Form> (108)
Free Base

>  <CAS> (108)
883031-03-6

>  <URL> (108)
http://www.selleck.cn/products/hc-067047.html

$$$$

csChFnd80/04122413082D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 15 18  2  0  0  0  0
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 17 20  2  0  0  0  0
 18 24  1  0  0  0  0
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 20 22  1  0  0  0  0
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M  END
>  <Mol_ID> (109)
6616

>  <Formula> (109)
C20H12F5N3O4

>  <MolWeight> (109)
453.318996

>  <Cat> (109)
S6638

>  <Name> (109)
AMG-333

>  <Synonyms> (109)
N/A

>  <Target> (109)
TRP Channel

>  <Form> (109)
Free Base

>  <CAS> (109)
1416799-28-4

>  <URL> (109)
http://www.selleck.cn/products/amg-333.html

$$$$

csChFnd80/04122413082D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (110)
6618

>  <Formula> (110)
C21H20FN3O4

>  <MolWeight> (110)
397.3996032

>  <Cat> (110)
S6644

>  <Name> (110)
Radiprodil (RGH-896)

>  <Synonyms> (110)
N/A

>  <Target> (110)
NMDAR

>  <Form> (110)
Free Base

>  <CAS> (110)
496054-87-6

>  <URL> (110)
http://www.selleck.cn/products/radiprodil.html

$$$$

csChFnd80/04122413082D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (111)
6688

>  <Formula> (111)
C12H19NO2

>  <MolWeight> (111)
209.28476

>  <Cat> (111)
S6632

>  <Name> (111)
Mirogabalin (DS-5565)

>  <Synonyms> (111)
N/A

>  <Target> (111)
Others

>  <Form> (111)
Free Base

>  <CAS> (111)
1138245-13-2

>  <URL> (111)
http://www.selleck.cn/products/mirogabalin-ds-5565.html

$$$$

csChFnd80/04122413082D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
6704

>  <Formula> (112)
C21H22ClN3O

>  <MolWeight> (112)
367.87188

>  <Cat> (112)
S6634

>  <Name> (112)
SAR7334

>  <Synonyms> (112)
N/A

>  <Target> (112)
TRP Channel

>  <Form> (112)
Free Base

>  <CAS> (112)
1333210-07-3

>  <URL> (112)
http://www.selleck.cn/products/sar7334.html

$$$$

csChFnd80/04122413082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8400    2.8305    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.0506    2.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    4.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0506    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2275    2.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    4.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0610    4.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4621    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0610    6.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    2.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594    7.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (113)
6712

>  <Formula> (113)
C14H16BNO

>  <MolWeight> (113)
225.09394

>  <Cat> (113)
S6657

>  <Name> (113)
2-Aminoethyl Diphenylborinate (2-APB)

>  <Synonyms> (113)
N/A

>  <Target> (113)
Calcium Channel,TRP Channel

>  <Form> (113)
Free Base

>  <CAS> (113)
524-95-8

>  <URL> (113)
http://www.selleck.cn/products/2-aminoethyl-diphenylborinate.html

$$$$

csChFnd80/04122413082D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.7562    3.5967    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    4.5791    2.4640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6791    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0791    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7791    2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0791    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6791    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  3 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
  2 11  1  0  0  0  0
M  END
>  <Mol_ID> (114)
6725

>  <Formula> (114)
C13H9NOSe

>  <MolWeight> (114)
274.17666

>  <Cat> (114)
S6676

>  <Name> (114)
Ebselen

>  <Synonyms> (114)
DR 3305, SPI-1005, PZ-51, CCG-39161

>  <Target> (114)
COVID-19,HIV

>  <Form> (114)
Free Base

>  <CAS> (114)
60940-34-3

>  <URL> (114)
http://www.selleck.cn/products/ebselen.html

$$$$

csChFnd80/04122413082D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  2  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 20  2  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (115)
6763

>  <Formula> (115)
C25H24N2O6

>  <MolWeight> (115)
448.46786

>  <Cat> (115)
S2436

>  <Name> (115)
Pranidipine

>  <Synonyms> (115)
Acalas, OPC 13340

>  <Target> (115)
Calcium Channel

>  <Form> (115)
Free Base

>  <CAS> (115)
99522-79-9

>  <URL> (115)
http://www.selleck.cn/products/pranidipine.html

$$$$

csChFnd80/04122413082D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6338    3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6338    4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    4.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    3.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    2.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    2.8014    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5456    4.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1456    1.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    2.1014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    2.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6957    2.8007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9080    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9080    0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1205    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    5.6083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 13 14  1  0  0  0  0
 12 13  1  0  0  0  0
 10 11  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 10 17  1  0  0  0  0
  4 20  1  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (116)
6803

>  <Formula> (116)
C14H22Cl2N2O2S

>  <MolWeight> (116)
353.30768

>  <Cat> (116)
S2650

>  <Name> (116)
RN-1734

>  <Synonyms> (116)
TRPV4 Antagonist I

>  <Target> (116)
TRP Channel

>  <Form> (116)
Free Base

>  <CAS> (116)
946387-07-1

>  <URL> (116)
http://www.selleckchem.com/products/rn-1734.html

$$$$

csChFnd80/04122413082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 10 19  2  0  0  0  0
 14 19  1  0  0  0  0
 11 20  1  0  0  0  0
  9 18  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 21 22  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (117)
6901

>  <Formula> (117)
C20H20N2O2

>  <MolWeight> (117)
320.385

>  <Cat> (117)
S6815

>  <Name> (117)
CDN1163

>  <Synonyms> (117)
N/A

>  <Target> (117)
ATPase

>  <Form> (117)
Free Base

>  <CAS> (117)
892711-75-0

>  <URL> (117)
http://www.selleckchem.com/products/cdn1163.html

$$$$

csChFnd80/04122413082D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.0000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0951    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
  4 17  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
>  <Mol_ID> (118)
6907

>  <Formula> (118)
C20H25ClN4O

>  <MolWeight> (118)
372.8917

>  <Cat> (118)
S6838

>  <Name> (118)
BCTC

>  <Synonyms> (118)
N/A

>  <Target> (118)
TRP Channel

>  <Form> (118)
Free Base

>  <CAS> (118)
393514-24-4

>  <URL> (118)
http://www.selleckchem.com/products/bctc.html

$$$$

csChFnd80/04122413082D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1531   14.9834    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8531   13.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225   16.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843   17.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0766   17.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  2 20  1  0  0  0  0
  3 14  2  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (119)
6926

>  <Formula> (119)
C20H22N2O5S

>  <MolWeight> (119)
402.46408

>  <Cat> (119)
S0016

>  <Name> (119)
SN-6

>  <Synonyms> (119)
N/A

>  <Target> (119)
AChR,Calcium Channel,NCX,Sodium Channel

>  <Form> (119)
free base

>  <CAS> (119)
415697-08-4

>  <URL> (119)
http://www.selleckchem.com/products/sn-6.html

$$$$

csChFnd80/04122413082D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    4.1495    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9832    5.4764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    5.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0497    6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6851    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8830    4.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2524    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1484    7.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5811    8.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6443    9.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    9.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8422    8.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4857    3.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0545    1.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    3.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7838    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 15 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 15  1  0  0  0  0
 11 27  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (120)
6946

>  <Formula> (120)
C26H26N2O2

>  <MolWeight> (120)
398.49684

>  <Cat> (120)
S0174

>  <Name> (120)
TRPM8 antagonist 2

>  <Synonyms> (120)
TRPM8 Antagonist

>  <Target> (120)
TRP Channel

>  <Form> (120)
free base

>  <CAS> (120)
259674-19-6

>  <URL> (120)
http://www.selleckchem.com/products/trpm8-antagonist-2.html

$$$$

csChFnd80/04122413082D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  9 10  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 11 16  1  0  0  0  0
 19 20  1  0  0  0  0
 13 19  1  0  0  0  0
 14 21  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (121)
6973

>  <Formula> (121)
C14H17IN4O2

>  <MolWeight> (121)
400.21485

>  <Cat> (121)
S0405

>  <Name> (121)
AF-353

>  <Synonyms> (121)
Ro-4

>  <Target> (121)
P2 Receptor

>  <Form> (121)
free base

>  <CAS> (121)
865305-30-2

>  <URL> (121)
http://www.selleckchem.com/products/af353.html

$$$$

csChFnd80/04122413082D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 11 20  1  0  0  0  0
  8 21  2  0  0  0  0
M  END
>  <Mol_ID> (122)
6991

>  <Formula> (122)
C15H15Br2N3O

>  <MolWeight> (122)
413.1071

>  <Cat> (122)
S0758

>  <Name> (122)
BX430

>  <Synonyms> (122)
N/A

>  <Target> (122)
P2 Receptor

>  <Form> (122)
free base

>  <CAS> (122)
688309-70-8

>  <URL> (122)
http://www.selleckchem.com/products/bx430.html

$$$$

csChFnd80/04122413082D

 61 66  0  0  0  0  0  0  0  0999 V2000
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   10.0816    9.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5641    9.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627   10.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6072    4.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (123)
7003

>  <Formula> (123)
C41H47NO19

>  <MolWeight> (123)
857.80718

>  <Cat> (123)
S0973

>  <Name> (123)
Wilforgine

>  <Synonyms> (123)
N/A

>  <Target> (123)
Calcium Channel

>  <Form> (123)
free base

>  <CAS> (123)
37239-47-7

>  <URL> (123)
http://www.selleckchem.com/products/wilforgine.html

$$$$

csChFnd80/04122413082D

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M  END
>  <Mol_ID> (124)
7019

>  <Formula> (124)
C47H48N3NaO7S2

>  <MolWeight> (124)
854.01969

>  <Cat> (124)
S3217

>  <Name> (124)
Brilliant Blue G

>  <Synonyms> (124)
BBG

>  <Target> (124)
Dyes,P2 Receptor

>  <Form> (124)
free base

>  <CAS> (124)
6104-58-1

>  <URL> (124)
http://www.selleckchem.com/products/brilliant-blue-g.html

$$$$

csChFnd80/04122413082D

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    4.6498    2.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1726    0.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0972    8.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283    6.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2377    9.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589    2.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3407    7.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9876    7.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7066    8.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7190    9.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657    9.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  1  6  0  0  0
  1 33  1  0  0  0  0
 20  2  1  1  0  0  0
  2 34  1  0  0  0  0
 22  3  1  1  0  0  0
  3 35  1  0  0  0  0
 25  4  1  1  0  0  0
  4 36  1  0  0  0  0
 24  5  1  6  0  0  0
 26  6  1  1  0  0  0
 29  7  1  6  0  0  0
  7 37  1  0  0  0  0
 28  8  1  1  0  0  0
  9 31  1  0  0  0  0
  9 39  1  0  0  0  0
 10 33  2  0  0  0  0
 11 36  2  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 22  1  6  0  0  0
 14 20  1  0  0  0  0
 14 21  1  1  0  0  0
 15 18  1  0  0  0  0
 15 23  1  1  0  0  0
 17 16  1  1  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  1  0  0  0
 19 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 31  1  6  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 33 38  1  0  0  0  0
 36 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (125)
7028

>  <Formula> (125)
C33H45NO11

>  <MolWeight> (125)
631.7105

>  <Cat> (125)
S3236

>  <Name> (125)
Mesaconitine

>  <Synonyms> (125)
N/A

>  <Target> (125)
Apoptosis related,Calcium Channel,TNF-alpha

>  <Form> (125)
free base

>  <CAS> (125)
2752-64-9

>  <URL> (125)
http://www.selleckchem.com/products/mesaconitine.html

$$$$

csChFnd80/04122413082D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (126)
7033

>  <Formula> (126)
C18H20O5

>  <MolWeight> (126)
316.3484

>  <Cat> (126)
S3242

>  <Name> (126)
Loureirin B

>  <Synonyms> (126)
LB, LrB

>  <Target> (126)
Calcium Channel,ERK,JNK,PAI-1,Potassium Channel

>  <Form> (126)
free base

>  <CAS> (126)
119425-90-0

>  <URL> (126)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/04122413082D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5744    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9744    2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  4 11  1  0  0  0  0
 14 15  1  0  0  0  0
  2 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 17 24  1  0  0  0  0
 16 20  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
>  <Mol_ID> (127)
7096

>  <Formula> (127)
C14H19N5O4S

>  <MolWeight> (127)
353.39676

>  <Cat> (127)
S6664

>  <Name> (127)
Gefapixant

>  <Synonyms> (127)
AF-219, MK-7264, R1646,RG-1646,RO 4926219

>  <Target> (127)
P2 Receptor

>  <Form> (127)
free base

>  <CAS> (127)
1015787-98-0

>  <URL> (127)
http://www.selleckchem.com/products/gefapixant.html

$$$$

csChFnd80/04122413082D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987    7.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2102    8.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   10.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   10.0523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644    8.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    7.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    4.5597    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (128)
7105

>  <Formula> (128)
C15H18Cl2N2O2S

>  <MolWeight> (128)
361.28662

>  <Cat> (128)
S6847

>  <Name> (128)
ML-9 HCl

>  <Synonyms> (128)
ML-9 hydrochloride

>  <Target> (128)
Akt,Autophagy,Calcium Channel,MLCK

>  <Form> (128)
hydrochloride

>  <CAS> (128)
105637-50-1

>  <URL> (128)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/04122413082D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (129)
7129

>  <Formula> (129)
C10H20O2

>  <MolWeight> (129)
172.2646

>  <Cat> (129)
S6906

>  <Name> (129)
Capric acid

>  <Synonyms> (129)
DA, Decanoic acid, Decylic acid

>  <Target> (129)
GluR,PPAR

>  <Form> (129)
free base

>  <CAS> (129)
334-48-5

>  <URL> (129)
http://www.selleckchem.com/products/capric-acid.html

$$$$

csChFnd80/04122413082D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.2942    4.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594    3.3928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0545    1.7733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9894    5.4769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    7.3848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594    8.1383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7943    7.0962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4895    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    4.1461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1845    3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3593    5.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2944    9.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545    8.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    3.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 19  1  0  0  0  0
  3 19  2  0  0  0  0
 10  4  1  6  0  0  0
  4 12  1  0  0  0  0
  8  5  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  6  0  0  0
  8 12  1  6  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (130)
7203

>  <Formula> (130)
C17H23N3O3

>  <MolWeight> (130)
317.38282

>  <Cat> (130)
S0552

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BNC210

>  <Synonyms> (130)
H-Ile-Trp-OH, IW-2143

>  <Target> (130)
AChR

>  <Form> (130)
Free Base

>  <CAS> (130)
13589-06-5

>  <URL> (130)
https://www.selleckchem.com/products/bnc210.html

$$$$

csChFnd80/04122413082D

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M  END
>  <Mol_ID> (131)
7208

>  <Formula> (131)
C16H14ClF3N4O2

>  <MolWeight> (131)
386.7561696

>  <Cat> (131)
S0750

>  <Name> (131)
GFB-8438

>  <Synonyms> (131)
N/A

>  <Target> (131)
TRP Channel

>  <Form> (131)
Free Base

>  <CAS> (131)
2304549-73-1

>  <URL> (131)
https://www.selleckchem.com/products/gfb-8438.html

$$$$

csChFnd80/04122413082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (132)
7262

>  <Formula> (132)
C25H29ClN2O2

>  <MolWeight> (132)
424.96296

>  <Cat> (132)
S0000

>  <Name> (132)
Cav 2.2 blocker 1

>  <Synonyms> (132)
compound 9

>  <Target> (132)
Calcium Channel

>  <Form> (132)
Free Base

>  <CAS> (132)
1567335-29-8

>  <URL> (132)
https://www.selleckchem.com/products/cav-2-2-blocker-1.html

$$$$

csChFnd80/04122413082D

 35 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (133)
7338

>  <Formula> (133)
C26H30N6O3

>  <MolWeight> (133)
474.5548

>  <Cat> (133)
S0826

>  <Name> (133)
A-740003

>  <Synonyms> (133)
N/A

>  <Target> (133)
Interleukins,P2 Receptor

>  <Form> (133)
Free Base

>  <CAS> (133)
861393-28-4

>  <URL> (133)
https://www.selleckchem.com/products/a-740003.html

$$$$

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 32 35  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (134)
7344

>  <Formula> (134)
C27H29N3O6

>  <MolWeight> (134)
491.53566

>  <Cat> (134)
S0870

>  <Name> (134)
Barnidipine

>  <Synonyms> (134)
Libradin, Mepirodipine, Vasexten, YM-09730-5, Cyress, Hypoca, Oldeca

>  <Target> (134)
Calcium Channel

>  <Form> (134)
Free Base

>  <CAS> (134)
104713-75-9

>  <URL> (134)
https://www.selleckchem.com/products/barnidipine.html

$$$$

csChFnd80/04122413082D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    5.9667    2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    1.2184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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  6  9  1  0  0  0  0
  8 12  2  0  0  0  0
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 10 13  1  0  0  0  0
 11 17  1  0  0  0  0
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 13 14  2  0  0  0  0
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 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (135)
7349

>  <Formula> (135)
C19H17N3O

>  <MolWeight> (135)
303.35778

>  <Cat> (135)
S0977

>  <Name> (135)
AC1903

>  <Synonyms> (135)
N/A

>  <Target> (135)
TRP Channel

>  <Form> (135)
Free Base

>  <CAS> (135)
831234-13-0

>  <URL> (135)
https://www.selleckchem.com/products/ac1903.html

$$$$

csChFnd80/04122413082D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5603    9.5871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5047    7.1229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
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  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
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  6 13  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
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 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 16  1  0  0  0  0
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 16 20  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (136)
7367

>  <Formula> (136)
C13H9Cl2N3OS

>  <MolWeight> (136)
326.20106

>  <Cat> (136)
S2953

>  <Name> (136)
Dooku1

>  <Synonyms> (136)
N/A

>  <Target> (136)
Mechanosensitive Channel

>  <Form> (136)
Free Base

>  <CAS> (136)
2253744-54-4

>  <URL> (136)
https://www.selleckchem.com/products/dooku1.html

$$$$

csChFnd80/04122413082D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
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  3  6  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 18 22  2  0  0  0  0
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  5 20  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
>  <Mol_ID> (137)
7503

>  <Formula> (137)
C21H23NO3

>  <MolWeight> (137)
337.41222

>  <Cat> (137)
S6934

>  <Name> (137)
AMG-9810

>  <Synonyms> (137)
N/A

>  <Target> (137)
TLR,TRP Channel

>  <Form> (137)
Free Base

>  <CAS> (137)
545395-94-6

>  <URL> (137)
https://www.selleckchem.com/products/amg-9810.html

$$$$

csChFnd80/04122413082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  6 14  2  0  0  0  0
  7 11  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 11 15  1  0  0  0  0
  2 19  2  0  0  0  0
  3 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (138)
7534

>  <Formula> (138)
C12H8N4O6S

>  <MolWeight> (138)
336.28012

>  <Cat> (138)
S9686

>  <Name> (138)
NBQX (FG9202)

>  <Synonyms> (138)
NNC 079202

>  <Target> (138)
GluR

>  <Form> (138)
Free Base

>  <CAS> (138)
118876-58-7

>  <URL> (138)
https://www.selleckchem.com/products/nbqx.html

$$$$

csChFnd80/04122413082D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  3 16  1  0  0  0  0
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M  END
>  <Mol_ID> (139)
7572

>  <Formula> (139)
C13H14ClN3

>  <MolWeight> (139)
247.72336

>  <Cat> (139)
S5022

>  <Name> (139)
Varenicline Hydrochloride

>  <Synonyms> (139)
CP 526555 hydrochloride

>  <Target> (139)
AChR

>  <Form> (139)
Hydrochloride

>  <CAS> (139)
230615-23-3

>  <URL> (139)
http://www.selleckchem.com/products/varenicline-hydrochloride.html

$$$$

csChFnd80/04122413082D

 49 51  0  0  0  0  0  0  0  0999 V2000
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   13.6316    5.2616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    3.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6801    6.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364    4.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3436    5.2702    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    5.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3047    3.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364    3.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5731    4.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3436    6.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5723    3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286    2.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7840    5.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1335    7.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696    7.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948    2.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1335    8.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696    8.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3524    9.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2074    5.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4191    4.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8439    4.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6316    6.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0560    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8480    7.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4153    7.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2723    4.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0560    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8480    8.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4153    8.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6316    9.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4887    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2723    7.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4887    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5823    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3701    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2 17  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  6 26  1  0  0  0  0
  6 33  1  0  0  0  0
  7 26  2  0  0  0  0
  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
 10 48  1  0  0  0  0
 11 21  1  0  0  0  0
 11 24  1  0  0  0  0
 12 30  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  2  0  0  0  0
 40 45  1  0  0  0  0
 41 46  2  0  0  0  0
 42 44  2  0  0  0  0
 43 44  1  0  0  0  0
 45 47  2  0  0  0  0
 46 47  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
>  <Mol_ID> (140)
7660

>  <Formula> (140)
C36H45ClN3O8P

>  <MolWeight> (140)
714.184561

>  <Cat> (140)
S5898

>  <Name> (140)
Efonidipine hydrochloride monoethanolate

>  <Synonyms> (140)
NZ-105 hydrochloride monoethanolate

>  <Target> (140)
Calcium Channel

>  <Form> (140)
Hydrochloride monoethanolate

>  <CAS> (140)
111011-76-8

>  <URL> (140)
http://www.selleckchem.com/products/efonidipine-hydrochloride-monoethanolate.html

$$$$

csChFnd80/04122413082D

 36 36  0  0  0  0  0  0  0  0999 V2000
    8.2055    9.4596    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    6.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4956    8.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9616    4.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3616    4.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8616    6.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4616    6.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    7.0074    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4956    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8267    9.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302    9.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5827   11.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1863   10.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2626   11.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9205    7.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8616    3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4616    3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5616    4.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7616    4.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 19  1  0  0  0  0
  2 28  1  0  0  0  0
  3 20  1  0  0  0  0
  3 29  1  0  0  0  0
  4 22  1  0  0  0  0
  4 31  1  0  0  0  0
  5 20  2  0  0  0  0
  6 22  2  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 35  2  0  0  0  0
 10 36  2  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 18  2  0  0  0  0
 15 22  1  0  0  0  0
 16 19  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  2  0  0  0  0
 18 21  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <Mol_ID> (141)
7788

>  <Formula> (141)
C24H29ClN2O9

>  <MolWeight> (141)
524.94806

>  <Cat> (141)
S5966

>  <Name> (141)
Amlodipine maleate

>  <Synonyms> (141)
Amvaz, UK-48340 maleate

>  <Target> (141)
Calcium Channel

>  <Form> (141)
Maleate

>  <CAS> (141)
88150-47-4

>  <URL> (141)
http://www.selleckchem.com/products/amlodipine-maleate.html

$$$$

csChFnd80/04122413082D

 15 17  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (142)
7845

>  <Formula> (142)
C14H10O

>  <MolWeight> (142)
194.2286

>  <Cat> (142)
E0028

>  <Name> (142)
9-Phenanthrol

>  <Synonyms> (142)
9-Hydroxyphenanthrene, Phenanthren-9-ol, 9-Phenanthrenol

>  <Target> (142)
TRP Channel

>  <Form> (142)
Free Base

>  <CAS> (142)
484-17-3

>  <URL> (142)
http://www.selleckchem.com/products/9-phenanthrol.html

$$$$

csChFnd80/04122413082D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.0065    2.8060    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    2.8067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490    1.5942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1503    4.0168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1257    7.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7597    3.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    3.5060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    4.9079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    5.6072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2725    2.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4832    3.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    2.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4832    4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9142    4.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9142    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6988    5.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    2.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1257    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9709    7.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4018    5.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1863    7.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4018    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3 24  1  0  0  0  0
  6 23  2  0  0  0  0
  7 26  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (143)
7864

>  <Formula> (143)
C21H17ClFN3O4S

>  <MolWeight> (143)
461.8937832

>  <Cat> (143)
S0446

>  <Name> (143)
TCN 201

>  <Synonyms> (143)
N/A

>  <Target> (143)
NMDAR

>  <Form> (143)
Free Base

>  <CAS> (143)
852918-02-6

>  <URL> (143)
http://www.selleckchem.com/products/tcn-201.html

$$$$

csChFnd80/04122413082D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.1972    6.3177    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2854    0.0063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    2.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2172    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4978    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7108    2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7099    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9322    2.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9194    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
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  8  9  2  0  0  0  0
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  9 13  1  0  0  0  0
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 10 14  2  0  0  0  0
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 13 15  2  0  0  0  0
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 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (144)
8053

>  <Formula> (144)
C15H11Cl2NO4

>  <MolWeight> (144)
340.15814

>  <Cat> (144)
S6070

>  <Name> (144)
CBA (TRPM4-IN-5)

>  <Synonyms> (144)
Compound 5, TRPM4 inhibitor 5

>  <Target> (144)
TRP Channel

>  <Form> (144)
Free Base

>  <CAS> (144)
351424-20-9

>  <URL> (144)
http://www.selleckchem.com/products/cba-trpm4-in-1.html

$$$$

csChFnd80/04122413082D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
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  6  7  2  0  0  0  0
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  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (145)
8073

>  <Formula> (145)
C17H11BrN2O2

>  <MolWeight> (145)
355.18544

>  <Cat> (145)
S9498

>  <Name> (145)
5-BDBD

>  <Synonyms> (145)
N/A

>  <Target> (145)
P2 Receptor

>  <Form> (145)
Free Base

>  <CAS> (145)
768404-03-1

>  <URL> (145)
http://www.selleckchem.com/products/5-bdbd.html

$$$$

csChFnd80/04122413082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 27 29  2  0  0  0  0
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M  END
>  <Mol_ID> (146)
8097

>  <Formula> (146)
C23H31N3O3S

>  <MolWeight> (146)
429.57554

>  <Cat> (146)
E0026

>  <Name> (146)
ML-SI3

>  <Synonyms> (146)
N/A

>  <Target> (146)
TRP Channel

>  <Form> (146)
Free Base

>  <CAS> (146)
891016-02-7

>  <URL> (146)
http://www.selleckchem.com/products/ml-si3.html

$$$$

csChFnd80/04122413082D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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  3 11  1  0  0  0  0
 17 18  1  0  0  0  0
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 17 22  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 30 35  2  0  0  0  0
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M  END
>  <Mol_ID> (147)
8223

>  <Formula> (147)
C32H32N2O

>  <MolWeight> (147)
460.60928

>  <Cat> (147)
S0452

>  <Name> (147)
NP118809

>  <Synonyms> (147)
39-1B4

>  <Target> (147)
Calcium Channel

>  <Form> (147)
free base

>  <CAS> (147)
41332-24-5

>  <URL> (147)
http://www.selleckchem.com/products/np118809.html

$$$$

csChFnd80/04122413082D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
8226

>  <Formula> (148)
C14H9Cl2F3N2O2

>  <MolWeight> (148)
365.1346696

>  <Cat> (148)
S0518

>  <Name> (148)
NS 1738

>  <Synonyms> (148)
NSC 213859

>  <Target> (148)
AChR

>  <Form> (148)
free base

>  <CAS> (148)
501684-93-1

>  <URL> (148)
http://www.selleckchem.com/products/ns-1738.html

$$$$

csChFnd80/04122413082D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 18 14  1  0  0  0  0
 13  9  1  6  0  0  0
M  END
>  <Mol_ID> (149)
8227

>  <Formula> (149)
C14H17ClN2O

>  <MolWeight> (149)
264.75058

>  <Cat> (149)
S0521

>  <Name> (149)
PNU-282987 S enantiomer free base

>  <Synonyms> (149)
N/A

>  <Target> (149)
AChR

>  <Form> (149)
free base

>  <CAS> (149)
737727-12-7

>  <URL> (149)
http://www.selleckchem.com/products/pnu-282987-s-enantiomer-free-base.html

$$$$

csChFnd80/04122413082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    6.6791    2.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6791    4.8496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4671    5.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7561    7.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  1  9  2  0  0  0  0
  2  6  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 20  1  0  0  0  0
 15 12  1  6  0  0  0
  9 21  1  0  0  0  0
 15 22  1  1  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (150)
8276

>  <Formula> (150)
C16H18Cl2N2OS

>  <MolWeight> (150)
357.29792

>  <Cat> (150)
S2957

>  <Name> (150)
Encenicline (EVP-6124) hydrochloride

>  <Synonyms> (150)
N/A

>  <Target> (150)
AChR

>  <Form> (150)
hydrochloride

>  <CAS> (150)
550999-74-1

>  <URL> (150)
http://www.selleckchem.com/products/encenicline-hydrochloride.html

$$$$

csChFnd80/04122413082D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1234    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0621    1.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  1  0  0  0  0
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  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
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  4  5  1  0  0  0  0
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  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
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  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  1  0  0  0
 12 19  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 20  2  0  0  0  0
M  ISO  1  21   2
M  ISO  1  22   2
M  ISO  1  23   2
M  ISO  1  24   2
M  ISO  1  25   2
M  ISO  1  26   2
M  END
>  <Mol_ID> (151)
8286

>  <Formula> (151)
C18H19D6NO

>  <MolWeight> (151)
277.434170668

>  <Cat> (151)
S3535

>  <Name> (151)
Deudextromethorphan (AVP-786)

>  <Synonyms> (151)
N/A

>  <Target> (151)
NMDAR

>  <Form> (151)
free base

>  <CAS> (151)
1079043-55-2

>  <URL> (151)
http://www.selleckchem.com/products/deudextromethorphan-avp-786.html

$$$$

csChFnd80/04122413082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  1 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
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 17 21  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (152)
8329

>  <Formula> (152)
C20H25N3O2

>  <MolWeight> (152)
339.4314

>  <Cat> (152)
E0379

>  <Name> (152)
SEN12333

>  <Synonyms> (152)
WAY-317538

>  <Target> (152)
AChR,Calcium Channel

>  <Form> (152)
free base

>  <CAS> (152)
874450-44-9

>  <URL> (152)
http://www.selleckchem.com/products/sen12333.html

$$$$

csChFnd80/04122413082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.0621    3.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 11 12  3  0  0  0  0
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  3 13  2  0  0  0  0
  2 14  2  0  0  0  0
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  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (153)
8359

>  <Formula> (153)
C9H4N4O4

>  <MolWeight> (153)
232.15246

>  <Cat> (153)
E0484

>  <Name> (153)
CNQX

>  <Synonyms> (153)
6-cyano-7-nitroquinoxaline-2,3-dione

>  <Target> (153)
GluR

>  <Form> (153)
free base

>  <CAS> (153)
115066-14-3

>  <URL> (153)
http://www.selleckchem.com/products/cnqx.html

$$$$

csChFnd80/04122413082D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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8406

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C19H27ClFN3O2

>  <MolWeight> (154)
383.8879832

>  <Cat> (154)
E0777

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Z944

>  <Target> (154)
Calcium Channel

>  <Form> (154)
free base

>  <CAS> (154)
1199236-64-0

>  <URL> (154)
http://www.selleckchem.com/products/z944.html

$$$$

csChFnd80/04122413082D

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 23 24  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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A   39
.
M  END
>  <Mol_ID> (155)
8436

>  <Formula> (155)
C26H31ClN2O8RS

>  <MolWeight> (155)
567.05094

>  <Cat> (155)
E0826

>  <Name> (155)
Levamlodipine Besylate

>  <Target> (155)
Calcium Channel

>  <Form> (155)
Besylate

>  <CAS> (155)
150566-71-5

>  <URL> (155)
http://www.selleckchem.com/products/levamlodipine-besylate.html

$$$$

csChFnd80/04122413082D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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  4 22  1  0  0  0  0
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M  END
>  <Mol_ID> (156)
8464

>  <Formula> (156)
C17H17BrN3O5P

>  <MolWeight> (156)
454.211741

>  <Cat> (156)
E1050

>  <Name> (156)
PEAQX

>  <Synonyms> (156)
NVP-AAM077

>  <Target> (156)
NMDAR

>  <Form> (156)
free base

>  <CAS> (156)
459836-30-7

>  <URL> (156)
http://www.selleckchem.com/products/peaqx.html

$$$$

csChFnd80/04122413082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2 15  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 14 16  2  0  0  0  0
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 18 19  2  0  0  0  0
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M  END
>  <Mol_ID> (157)
8576

>  <Formula> (157)
C16H13N3O4

>  <MolWeight> (157)
311.29212

>  <Cat> (157)
E2684

>  <Name> (157)
Icilin

>  <Target> (157)
TRP Channel

>  <Form> (157)
free base

>  <CAS> (157)
36945-98-9

>  <URL> (157)
http://www.selleckchem.com/products/icilin.html

$$$$
>  <Mol_ID> (158)
8651

>  <Cat> (158)
E0524

>  <Name> (158)
Spinosad

>  <Target> (158)
AChR,Anti-infection

>  <Form> (158)
free base

>  <CAS> (158)
168316-95-8

>  <URL> (158)
http://www.selleckchem.com/products/spinosad.html

$$$$

csChFnd80/04122413082D

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M  END
>  <Mol_ID> (159)
8762

>  <Formula> (159)
C55H80N20O18S4

>  <MolWeight> (159)
1437.6069

>  <Cat> (159)
S0702

>  <Name> (159)
¦Á-Conotoxin GI

>  <Target> (159)
AChR

>  <Form> (159)
Free base

>  <CAS> (159)
76862-65-2

>  <URL> (159)
http://www.selleckchem.com/products/alpha-conotoxin-gi.html

$$$$

csChFnd80/04122413082D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (160)
8800

>  <Formula> (160)
C25H36Cl2N4O2

>  <MolWeight> (160)
495.48494

>  <Cat> (160)
S3520

>  <Name> (160)
AZ10606120 dihydrochloride

>  <Synonyms> (160)
AZ10606120 2HCl

>  <Target> (160)
P2 Receptor

>  <Form> (160)
Dihydrochloride

>  <CAS> (160)
607378-18-7

>  <URL> (160)
http://www.selleckchem.com/products/az10606120-dihydrochloride.html

$$$$

csChFnd80/04122413082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (161)
8830

>  <Formula> (161)
C20H23ClFNO

>  <MolWeight> (161)
347.8541232

>  <Cat> (161)
S6731

>  <Name> (161)
Eliprodil (SL-820715)

>  <Synonyms> (161)
N/A

>  <Target> (161)
NMDAR

>  <Form> (161)
Free base

>  <CAS> (161)
119431-25-3

>  <URL> (161)
http://www.selleckchem.com/products/eliprodil.html

$$$$

csChFnd80/04122413082D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
8948

>  <Formula> (162)
C22H21F3N4O3S

>  <MolWeight> (162)
478.4873496

>  <Cat> (162)
E0357

>  <Name> (162)
Eliapixant

>  <Synonyms> (162)
BAY 1817080

>  <Target> (162)
P2 Receptor

>  <Form> (162)
Free base

>  <CAS> (162)
1948229-21-7

>  <URL> (162)
http://www.selleckchem.com/products/eliapixant.html

$$$$

csChFnd80/04122413082D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
9079

>  <Formula> (163)
C22H16Cl3N7O6

>  <MolWeight> (163)
580.76474

>  <Cat> (163)
S2975

>  <Name> (163)
CarboxyaMidotriazole orotate

>  <Synonyms> (163)
L-651582 Orotate, CAI Orotate

>  <Target> (163)
Calcium Channel

>  <Form> (163)
Orotate

>  <CAS> (163)
187739-60-2

>  <URL> (163)
http://www.selleckchem.com/products/carboxyamidotriazole-orotate.html

$$$$

csChFnd80/04122413082D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (164)
9083

>  <Formula> (164)
C28H32N4O2S

>  <MolWeight> (164)
488.64428

>  <Cat> (164)
S8513

>  <Name> (164)
JNJ-47965567

>  <Target> (164)
P2 Receptor

>  <Form> (164)
Free base

>  <CAS> (164)
1428327-31-4

>  <URL> (164)
https://www.selleckchem.com/products/jnj-47965567.html

$$$$

csChFnd80/04122413082D

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M  END
>  <Mol_ID> (165)
9098

>  <Formula> (165)
C8H4N4O6

>  <MolWeight> (165)
252.14056

>  <Cat> (165)
E1259

>  <Name> (165)
DNQX

>  <Synonyms> (165)
FG 9041

>  <Target> (165)
Calcium Channel,GluR

>  <Form> (165)
Free base

>  <CAS> (165)
2379-57-9

>  <URL> (165)
https://www.selleckchem.com/products/dnqx.html

$$$$
N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-N-methyl-L-leucyl-N-(1,1-dimethylethy...
csChFnd80/04122413082D

 44 46  0  0  1  0  0  0  0  0999 V2000
    9.3360    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    9.2402    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.0023   10.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6685    9.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372   10.0102    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0033    7.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6708    9.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372   11.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6708    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045   10.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0057    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6685    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3337    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0045    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
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 10 15  1  0  0  0  0
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 16 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 44  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
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 39 40  2  0  0  0  0
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 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (166)
9685

>  <Formula> (166)
C38H53N3O3

>  <MolWeight> (166)
599.84572

>  <Cat> (166)
E1368

>  <Name> (166)
PD173212

>  <Synonyms> (166)
Compound 11

>  <Target> (166)
Calcium Channel

>  <Form> (166)
free base

>  <CAS> (166)
217171-01-2

>  <URL> (166)
https://www.selleckchem.com/products/pd173212.html

$$$$
(-)-2-Amino-5-phosphonovaleric acid
csChFnd80/04122413082D

 12 11  0  0  1  0  0  0  0  0999 V2000
    4.0012    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    5.9538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3348    1.3337    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5648    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    8.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  6  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
M  END
>  <Mol_ID> (167)
9711

>  <Formula> (167)
C5H12NO5P

>  <MolWeight> (167)
197.126241

>  <Cat> (167)
E1246

>  <Name> (167)
D-AP5

>  <Target> (167)
NMDAR

>  <Form> (167)
Free base

>  <CAS> (167)
79055-68-8

>  <URL> (167)
https://www.selleckchem.com/products/d-ap5.html

$$$$
2,6-Difluoro-N-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-...
csChFnd80/04122413082D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.3347    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.5400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    1.5400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    4.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5425    5.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9160    6.8599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3527    7.9449    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7951    2.6393    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3336    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0740    5.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792    6.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7003    3.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5107    6.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (168)
9802

>  <Formula> (168)
C18H12F5N3O2

>  <MolWeight> (168)
397.298796

>  <Cat> (168)
E2984

>  <Name> (168)
GSK-7975A

>  <Target> (168)
Calcium Channel

>  <Form> (168)
Free base

>  <CAS> (168)
1253186-56-9

>  <URL> (168)
https://www.selleckchem.com/products/gsk-7975a.html

$$$$
2-Amino-5-phosphonovaleric acid
csChFnd80/04122413082D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.0012    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
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M  END
>  <Mol_ID> (169)
9807

>  <Formula> (169)
C5H12NO5P

>  <MolWeight> (169)
197.126241

>  <Cat> (169)
E2979

>  <Name> (169)
DL-AP5 (2-APV) 

>  <Synonyms> (169)
DL-2-Amino-5-phosphonovaleric acid

>  <Target> (169)
NMDAR

>  <Form> (169)
Free base

>  <CAS> (169)
76326-31-3

>  <URL> (169)
https://www.selleckchem.com/products/dl-ap5-2-apv.html

$$$$
Fluspirilene
csChFnd80/04122413082D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.4954    2.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1804    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5119    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (170)
9916

>  <Formula> (170)
C29H31F2N3O

>  <MolWeight> (170)
475.5727464

>  <Cat> (170)
E1410

>  <Name> (170)
Fluspirilene

>  <Synonyms> (170)
R 6218, Redeptin

>  <Target> (170)
Calcium Channel

>  <Form> (170)
free base

>  <CAS> (170)
1841-19-6

>  <URL> (170)
https://www.selleckchem.com/products/fluspirilene.html

$$$$
>  <Mol_ID> (171)
9967

>  <Cat> (171)
E2993

>  <Name> (171)
Ruthenium Red

>  <Synonyms> (171)
Ammoniated ruthenium oxychloride

>  <Target> (171)
Calcium Channel

>  <Form> (171)
Chloride salt

>  <CAS> (171)
11103-72-3

>  <URL> (171)
https://www.selleckchem.com/products/ruthenium-red.html

$$$$
