DISI - User contributions [en]

Cluster 7:Libraries

2026-05-13T19:59:49Z

Frodo: /* 30B under HAC30 (4) */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== FS5 Fvn (4) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

== FS5 - 30B under HAC30 (4) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| fs5a_H10_23 || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| fs5a_H24 || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 186.4M (22.3M unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || ?? || 502.1M (54.2M unique)
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M. runs
|-
| M_H33.smi || 5.610B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 1.317B (58.1%) || 950.9M (235.7M unique).
|-
| M_H42_65.smi || 1.893B || 90M || 725.6M (# unique 40.5B)
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-13T19:44:26Z

Frodo: /* Fvn QQQ (3) */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== 30B under HAC30 (4) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| fs5a_H10_23 || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| fs5a_H24 || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 186.4M (22.3M unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || ?? || 502.1M (54.2M unique)
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M. runs
|-
| M_H33.smi || 5.610B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 1.317B (58.1%) || 950.9M (235.7M unique).
|-
| M_H42_65.smi || 1.893B || 90M || 725.6M (# unique 40.5B)
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-12T06:06:24Z

Frodo: /* REAL M HAC 05-29 */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 186.4M (22.3M unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || ?? || 502.1M (54.2M unique)
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M. runs
|-
| M_H33.smi || 5.610B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 1.317B (58.1%) || 950.9M (235.7M unique).
|-
| M_H42_65.smi || 1.893B || 90M || 725.6M (# unique 40.5B)
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-12T06:01:45Z

Frodo: /* REAL M (HAC 30+) */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 186.4M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || ?? || 502.1M (54.2M unique)
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M. runs
|-
| M_H33.smi || 5.610B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 1.317B (58.1%) || 950.9M (235.7M unique).
|-
| M_H42_65.smi || 1.893B || 90M || 725.6M (# unique 40.5B)
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-12T03:08:50Z

Frodo: /* REAL M (HAC 30+) */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 186.4M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M. runs
|-
| M_H33.smi || 5.610B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 1.317B (58.1%) || 950.9M (235.7M unique).
|-
| M_H42_65.smi || 1.893B || 90M || 725.6M (# unique 40.5B)
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-12T03:00:46Z

Frodo: /* REAL M (HAC 30+) */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 186.4M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M. runs
|-
| M_H33.smi || 5.610B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 177.0M (235.7M unique). how can that be?
|-
| M_H42_65.smi || 1.893B || 90M || 725.6M (# unique 40.5B)
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-12T02:46:58Z

Frodo: /* REAL M HAC 05-29 */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 186.4M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M
|-
| M_H33.smi || 5.610B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 950.9M (#unique)
|-
| M_H42_65.smi || 1.893B || 90M || 725.6M (# unique 40.5B)
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-11T20:10:45Z

Frodo: /* REAL M (HAC 30+) */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M
|-
| M_H33.smi || 5.610B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 950.9M (#unique)
|-
| M_H42_65.smi || 1.893B || 90M || 725.6M (# unique 40.5B)
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-07T20:29:35Z

Frodo: /* REAL M (HAC 30+) */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M
|-
| M_H33.smi || 5.5? B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 950.9M (#unique)
|-
| M_H42_65.smi || 1.893B || 90M || 725.6M (# unique 40.5B)
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-07T20:19:13Z

Frodo: /* REAL M (HAC 30+) */ asD

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (#unique)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M
|-
| M_H33.smi || 5.5? B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 62.8B (950.9M unique)
|-
| M_H42_65.smi || 1.893B || 90M || 40.5B
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-07T20:15:13Z

Frodo: /* REAL M HAC 05-29 */ asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.412B (99.8%) || 110.8M (13.4M unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M
|-
| M_H33.smi || 5.5? B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-07T18:56:55Z

Frodo: asdf

* So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* So far, total molecules (pre stereochemical expansion). HAC 05-29: 57.9 B, HAC 30+: 94.6 B
* This excludes xREAL, which are ugly anyway.

* Last update: May 7, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M
|-
| M_H33.smi || 5.5? B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-07T18:41:23Z

Frodo: /* REAL M (HAC 30+) */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.959B || 90M || 10M
|-
| M_H33.smi || 5.5? B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-06T17:47:50Z

Frodo: /* REAL M (HAC 30+) */ aSD

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 5.9? B || 90M || 10M
|-
| M_H33.smi || 5.5? B || 90M || 10M
|-
| M_H34.smi || 5.126B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-06T16:30:08Z

Frodo: /* REAL M (HAC 30+) */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891B || 90M || 10M
|-
| M_H31.smi || 6.245B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-06T16:29:34Z

Frodo: /* MolPort */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Stock =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Small_vendors_H05_29|| ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Small_vendors_H30_H99 || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Category:Cluster 7]]
[[Category:Libraries]]

Cluster 7:Libraries

2026-05-06T16:27:39Z

Frodo: /* WuXi */ adsf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

== Collections ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_stock || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H05_29 || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_H30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_all.smi|| ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== GalaXi ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T16:25:59Z

Frodo: /* WuXi */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| WuXi_Ph1_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC05_29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC05-29 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph1_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph2_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| WuXi_Ph3_HAC30_70 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| Total (est) || ?? B est.||
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T16:23:17Z

Frodo: /* Collections */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_stock.smi || 5 M || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T16:22:23Z

Frodo: /* Enamine */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== Collections ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| REAL_H05_29-all.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| REAL_all.smi || ??? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T16:10:23Z

Frodo: /* REAL S */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
! Total !! 5.619 B !! 5.464 B !! - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T16:09:47Z

Frodo: /* REAL S */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique)
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
| Total || 5.619 B || 5.464 B || - || 5.6B inexpensive from Enamine "S".
|}
This is a HUGE improvement over previous versions, which had only 800 M x S.

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T16:08:48Z

Frodo: /* REAL M HAC 05-29 */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique) || one mistake. Arthor atdb.fp file missing. regenerate.
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
| Total || 5.619 B || 5.464 B || - || 5.6 billion inexpensive from Enamine "S". This is a HUGE improvement over previous versions with only 800 M x S.
|}

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.422B (99.86%) || 100.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 7.69B?? || 10.1M (552K unique)
|-
! Total (est) !! 39.48B !! 38.5B?? !!
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T16:07:08Z

Frodo: /* REAL M HAC 05-29 */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique) || one mistake. Arthor atdb.fp file missing. regenerate.
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
| Total || 5.619 B || 5.464 B || - || 5.6 billion inexpensive from Enamine "S". This is a HUGE improvement over previous versions with only 800 M x S.
|}

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.512B (99.86%) || 10.1M (???K unique)
|-
| M_H28.smi || 8.079B || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 8.99B?? || 10.1M (552K unique)
|-
| Total (est) || 39.48B || 39B??
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T13:37:27Z

Frodo: /* REAL M HAC 05-29 */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique) || one mistake. Arthor atdb.fp file missing. regenerate.
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
| Total || 5.619 B || 5.464 B || - || 5.6 billion inexpensive from Enamine "S". This is a HUGE improvement over previous versions with only 800 M x S.
|}

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.512B (99.86%) || 10.1M (???K unique)
|-
| M_H28.smi || 8.00B?? || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 7.704B || 8.99B?? || 10.1M (552K unique)
|-
| Total (est) || 39B
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T00:43:12Z

Frodo: /* MolPort */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique) || one mistake. Arthor atdb.fp file missing. regenerate.
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
| Total || 5.619 B || 5.464 B || - || 5.6 billion inexpensive from Enamine "S". This is a HUGE improvement over previous versions with only 800 M x S.
|}

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.512B (99.86%) || 10.1M (???K unique)
|-
| M_H28.smi || 8.00B?? || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 9.00B?? || 8.99B?? || 10.1M (552K unique)
|-
| Total (est) || 39B
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T00:42:50Z

Frodo: /* KzChBr */ asdf

So Far seven indexed : 1) ChemSpace, 2) Enamine, 3) WuXi, 4) XtalPi, 5) OnePot, 6) KzChBr, 7) MolPort.
* Last update: May 5, 2026

= All - All =
All of these are currently combined. We are asymptoting to 100% coverage under HAC30 in a single file.

* ChemSpace inStock 05-29
* Enamine inStock 05-29
* combine. FS5 05-29.
* Enamine S 11-25, 26-29
* Enamine M 11-23, 24,25,26,27,28,29

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| All_H05_29.smi || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= Chem-Space.com Freedom Space 5.0 =

* chemspace in stock.
* other chemspace libraries?

== Collections (1+2+3 below) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| FS5_H05_29-all.smi || 5.614 B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| FS5_all.smi || 56 B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

== Rule of 5 (1) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique) !! Comments
|-
| FS5_Ro5_H05-29.smi || 955M || 921.2M (96%) || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
|-
| FS5_Ro5_H30-32.smi || 1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi || 1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi || 920M || 417M (45%) || 503M (242M unique) || SW coverage gets poor here... Sent to NMS
|-
| Total || 5.003 B ||
|}

== Beyond Rule of 5 (2) ==

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique)
|-
| FS5_BRo5_H12_29.smi || 75.6M || 73.5M (97.2%) || 2.1M (1M unique)
|-
| FS5_BRo5_H30_36.smi || 1.45B || 700M (48%) || 749.6M (348M unique)
|-
| FS5_BRo5_H37_41.smi || 2.43B || 474M (19.5%) || 1.956B (983M unique)
|-
| FS5_BRo5_H42_60.smi || 1.04B || 70M (6.7%)|| 970M (xxxM unique)
|-
| Total || 4.996 B ||
|}

== Fvn QQQ (3) ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (%unique)
|-
| FS5_F5fvn_H10_29.smi || 100 B || 90.9B (80.1) || 19.1M (12.5M unique)
|-
| FS5_F5fvn_H30_34.smi || 10 B || 9B || XXXM. ()
|-
| FS5_F5fvn_H35_39.smi || 1 B || 900M || 1.086B ( 770M unique)
|-
| FS5_F5fvn_H40_72.smi || 1 B || 900M || 1.201B (955M unique)
|-
| Total (expected) || 5 B ||
|}

= Enamine =

== REAL S ==
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped->arthor (unique) !! Comments
|-
| S_H11_25.smi || 2.150B || 2.149B (99.95%) || 1.13M (306.6K unique) || one mistake. Arthor atdb.fp file missing. regenerate.
|-
| S_H26_29.smi || 1.683B || 1.668B (99.1%) || 15.4M (5.2M unique)
|-
| S_30_50.smi || 1.786B || 1.647B (92.2%) || 139M (60.0M unique)
|-
| Total || 5.619 B || 5.464 B || - || 5.6 billion inexpensive from Enamine "S". This is a HUGE improvement over previous versions with only 800 M x S.
|}

== REAL M HAC 05-29 ==
Over 99% coverage in Smallworld upto HAC29
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H11_23.smi || 3.037 B || 3.0365 B (99.97%) || 546K (193K unique)
|-
| M_H24.smi || 2.702 B || 2.700B (99.92%) || 2.1M (552K unique)
|-
| M_H25.smi || 4.328 B || 4.318 B (99.77%) || 10.1M (1.96M unique)
|-
| M_H26.smi || 6.108 B || 6.067B (99.32%) || 41.1M (5.96M unique)
|-
| M_H27.smi || 7.522B || 7.512B (99.86%) || 10.1M (???K unique)
|-
| M_H28.smi || 8.00B?? || 7.99B?? || 10.1M (552K unique)
|-
| M_H29.smi || 9.00B?? || 8.99B?? || 10.1M (552K unique)
|-
| Total (est) || 39B
|}

== REAL M (HAC 30+) ==
Coverage in Smallworld anon falls off sharply after HAC30
{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped(arthor)
|-
| M_H30.smi || 6.891 B || 90M || 10M
|-
| M_H31.smi || 10 B || 90M || 10M
|-
| M_H32.smi || 9 B || 90M || 10M
|-
| M_H33.smi || 7 B || 90M || 10M
|-
| M_H34.smi || 6 B || 90M || 10M
|-
| M_H35.smi || 4.486 B || 90M || 10M
|-
| M_H36.smi || 3.751B || 90M || 10M
|-
| M_H37.smi || 3.012B || 90M || 10M
|-
| M_H38.smi || 2.341B || 90M || 10M
|-
| M_H39.smi || 1.775B || 90M || 10M
|-
| M_H40_41.smi || 2.268B || 90M || 10M
|-
| M_H42_65.smi || 1.893B || 90M || 10M
|-
| Total || 51B ||
|}

= WuXi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= XtalPi =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= OnePot =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= KzChBr =

{| class="wikitable"
|-
! File !! Size !! mapped !! unmapped -> arthor (%unique) !! Comment
|-
| Phase1 05 || ??? B || 5.559 B (99.0 %) || 55M (23.2M unique) || 100% enumeration to HAC29
|-
| All_H30plus.smi || ?? B est.|| 55 B(99%) est || 248M (UNK unique) || from HAC30 and beyond, not all enumerated
|}

= MolPort =

[[Cluster 7]]
[[Libraries]]

Cluster 7:Libraries

2026-05-06T00:42:37Z

Frodo: /* OnePot */ asdf

Cluster 7:Libraries

2026-05-06T00:42:27Z

Frodo: /* XtalPi */ sadf

Cluster 7:Libraries

2026-05-06T00:42:04Z

Frodo: /* WuXi */ fg

Cluster 7:Libraries

2026-05-05T22:29:23Z

Frodo: /* REAL M (HAC 30+) */ asdf

Cluster 7:Libraries

2026-05-05T22:28:56Z

Frodo: /* REAL S */ asdf

Cluster 7:Libraries

2026-05-05T22:28:31Z

Frodo: /* REAL M HAC 05-29 */ asdf

Cluster 7:Libraries

2026-05-05T21:44:16Z

Frodo: /* REAL M (HAC 30+) */ asdf

Cluster 7:Libraries

2026-05-05T21:43:34Z

Frodo: /* REAL M HAC 05-29 */ asdf

Cluster 7:Libraries

2026-05-05T19:22:05Z

Frodo: /* REAL M HAC 05-29 */asdf

Cluster 7:Libraries

2026-05-05T19:20:20Z

Frodo: /* REAL M (HAC 30+) */ asdf

Cluster 7:Libraries

2026-05-05T19:19:50Z

Frodo: /* REAL M HAC 05-29 */ sdfg

Cluster 7:Libraries

2026-05-05T19:17:54Z

Frodo: /* REAL M (HAC 30+) */ asdf

Cluster 7:Libraries

2026-05-05T18:34:24Z

Frodo: /* REAL M (HAC 30+) */ asdf

Cluster 7:Libraries

2026-05-05T18:32:55Z

Frodo: /* All - All */ asdf

Cluster 7:Libraries

2026-05-05T18:30:47Z

Frodo: /* REAL M (HAC 30+) */ asdf

Cluster 7:Libraries

2026-05-05T18:30:23Z

Frodo: /* REAL M (HAC 30+) */ asdf

Cluster 7:Libraries

2026-05-05T18:28:41Z

Frodo: /* REAL M HAC 05-29 */ asdf

Cluster 7:Libraries

2026-05-05T18:28:06Z

Frodo: /* REAL M HAC 05-29 */ adsf

Cluster 7:Libraries

2026-05-05T18:27:38Z

Frodo: /* REAL M (HAC 30+) */ asdf

Cluster 7:Libraries

2026-05-05T18:25:00Z

Frodo: /* REAL M HAC 05-29 */ asdf

Cluster 7:Libraries

2026-05-05T18:15:19Z

Frodo: /* REAL M HAC 05-29 */ asd

Cluster 7:Libraries

2026-05-05T18:15:05Z

Frodo: /* REAL M */ asdf

Cluster 7:Libraries

2026-05-05T18:12:45Z

Frodo: /* REAL S */ asdf