From 638f8309bf71d5f6b4ece06014fb00313a1e7fcf Mon Sep 17 00:00:00 2001 From: cheminfo bot Date: Mon, 18 Nov 2024 03:44:08 +0000 Subject: [PATCH] update data { "date": "2024-11-18T03:44:08.306Z", "molecules": 21911, "errors": 17, "nogood": 12, "notfound": 2417, "dup": 540 } --- public/data.json | 14 ++++++++++---- public/idcode.txt | 8 +++++++- public/smiles.txt | 8 +++++++- stats.json | 3 ++- 4 files changed, 26 insertions(+), 7 deletions(-) diff --git a/public/data.json b/public/data.json index 73c0b08c..8d302704 100644 --- a/public/data.json +++ b/public/data.json @@ -1,4 +1,4 @@ -{"stats":{"date":"2024-11-17T03:44:20.636Z","molecules":21905,"errors":17,"nogood":12,"notfound":2419,"dup":540}, +{"stats":{"date":"2024-11-18T03:44:08.306Z","molecules":21911,"errors":17,"nogood":12,"notfound":2417,"dup":540}, "data":{"molecules":[ 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{"id":17508125,"title":"XF-73","smiles":"C[N+](C)(C)CCCOC(C=C1)=CC=C1/C(C2=CC=C(/C=C3C=CC(/C(C4=CC=C(OCCC[N+](C)(C)C)C=C4)=C(N/5)/C=CC5=C\\6)=N/3)N2)=C7N=C6C=C/7.[Cl-].[Cl-]","mf":"C44H50Cl2N6O2","mw":765.8143214416673,"em":764.33723024122,"idCode":"efuvDDBCLjohTtGPHbBH@zCcISg@MEDdediEKEDdeleEDdeUDeddeIIitMLmbSRsSr[[PPQUSTtrmMLtp@UUTUL@DNPsLdh","sssIndex":[-50,-1101156447,1477788811,1619046792,-2136956156,-2128346430,829768212,-2147448804,135270432,45285414,632578306,134485136,-2137505280,263713,-2142699520,524354]}, {"id":17508796,"title":"Laropiprant","smiles":"CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CC[C@@H]3CC(=O)O)CC4=CC=C(C=C4)Cl)F","mf":"C21H19ClFNO4S","mw":435.89677921868395,"em":435.0707351142099,"idCode":"ek`XBL@AJfmc`HcpHVdLbbRrTTTTRTTbmThXLlbFRr`@j`ZBiXibJAq@@","sssIndex":[-2,-2097665,-10095633,1778325967,-1208329004,-1481197880,1765272189,-586396228,-514211767,463888436,1096606745,709712584,82856850,1243521042,67376568,71403534]}, {"id":17508853,"title":"Propylnorapomorphine","smiles":"CCCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O","mf":"C19H21NO2","mw":295.3762509332234,"em":295.15722892040003,"idCode":"ffs``@H`YdTTTTTLQbJrxkUg^bfBH@bBjhb@@","sssIndex":[-1057815,-1133431414,1888305735,1132491137,-1835657152,321008202,-179846652,-2147285572,1259931456,8454148,-1067281406,572630144,68258624,1241645601,476119040,297828356]}, +{"id":17510673,"title":"Benzenediazonium tetrafluoroborate","smiles":"[B-](F)(F)(F)F.C1=CC=C(C=C1)[N+]#N","mf":"C6H5BF4N2","mw":191.922166270912,"em":192.04819118093002,"idCode":"dkM@iJXIBJAICI@iBNj\\bdEfbRtzk`@@@","sssIndex":[-1994223607,65536,1073741824,32768,-2147483648,0,1024,134217728,0,0,0,0,0,262144,0,27136]}, {"id":17527026,"title":"Diboron tetrafluoride","smiles":"FB(F)B(F)F","mf":"B2F4","mw":97.61566874374,"em":98.01222337092,"idCode":"gGPFAHR`Taj@rEdDfzj`@","sssIndex":[-1402994687,2228224,1082130432,16384,0,524288,0,0,0,0,-2147483648,0,0,0,0,18944]}, {"id":17545599,"title":"Zotarolimus","smiles":"CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)n5cnnn5)C)C)O)OC)C)C)C)OC","mf":"C52H79N5O12","mw":966.2119613496876,"em":965.5725230031601,"idCode":"gjLf`X@@DAX]^_@FF`px|W@Sjln@yEEEEEiEEmMhXmDhmDhiileeMDdimMDdeEFhBIFfku^_PTKUMUTuUUUUTtuUTmUUSURsUUT@@@","sssIndex":[-4097,-1122305,-135,-1090519426,-1179713,-1323715,-4239377,-143133969,-17401923,-579953717,-1707779083,-1235282005,-548227868,-1251403320,1357540032,-1476345850]}, {"id":17548688,"title":"Chloroformic acid","smiles":"ClC(=O)O","mf":"CHClO2","mw":80.47042408203558,"em":79.96650695337,"idCode":"gC`hEaDIML@@","sssIndex":[-1861615600,0,4096,0,0,128,0,0,0,0,0,0,2097152,0,0,98316]}, @@ -16889,6 +16890,8 @@ {"id":53871323,"title":"25I-NB3OMe","smiles":"COC1=CC=CC(=C1)CNCCC2=CC(=C(C=C2OC)I)OC","mf":"C18H22INO3","mw":427.2773326148622,"em":427.0644404722,"idCode":"fncab@KDdTEXdsJnnkJvpVZpPQUU@DP@@@","sssIndex":[-3157688,374417152,268451974,1098920065,-2137915392,2110018,826335236,3348,16777280,2187264,71468034,2129936,8,131075,68223232,285738048]}, {"id":53871375,"title":"25iP-NBOMe","smiles":"CC(C)C1=C(C=C(C(=C1)OC)CCNCC2=CC=CC=C2OC)OC","mf":"C21H29NO3","mw":343.4606536834584,"em":343.21474379781,"idCode":"fika`@O@LWIEMDeDbedhhdnBZN`HJjj```@@@","sssIndex":[-1060024,374417152,805322886,1099182209,-2137915328,2110018,826335236,3476,150995008,2187264,71468034,2139152,2048,131075,68518146,285737024]}, 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+{"id":78384881,"title":"Bentranil","smiles":"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2","mf":"C14H9NO2","mw":223.2272824008778,"em":223.06332853364,"idCode":"fhy``@N@PdrsKsoSbk^Bu@p@@P@@@","sssIndex":[-78727846,1175527937,269488132,25167105,-2136997884,2109472,2375684,167772424,135792672,2113574,18088192,1074012224,-1341128192,134493184,4194304,0]} ],"errors":[ {"id":488812,"smiles":"S(Ag)Ag","error":"SmilesParser: unknown element label found. Position:2"}, {"id":2387347,"smiles":"[W+2]$[W+2].N\\2=C1/[N-]CCCN1CCC/2.N\\2=C1/[N-]CCCN1CCC/2.N\\2=C1/[N-]CCCN1CCC/2.N\\2=C1/[N-]CCCN1CCC/2","error":"SmilesParser: '$' for recursive SMARTS must be followed by '('. position:5"}, @@ -21924,5 +21930,5 @@ {"id":77597039,"smiles":"[H+].[Cl-][I3+]([Cl-])([Cl-])[Cl-]","error":"SmilesParser: unexpected character inside brackets: '3', position:12"}, {"id":77902125,"smiles":"B1(C2=C(C=CC(=C2[C@H](O1)CN)Cl)OCCO)O(C(=O)N1)CCN)CCN)CC(C)C)CC2=CC=CC=C2)CCN)NC(=O)[C@@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)O","error":"SmilesParser: Closing ')' without opening counterpart. Position:49"}], "nogood":[488812,2387347,4364040,16676251,28760465,35119485,36164484,41161056,41539366,77588855,77597039,77902125], 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"dup":[1800,5906,21655,24737,38571,44731,54118,56239,59262,63549,68344,69185,89195,89226,89229,89232,104526,141888,153316,156952,182476,190273,199306,263399,275978,287604,299718,305050,305050,311596,312116,324412,340295,352510,375136,386748,387807,387807,407615,427461,476247,505187,561151,569213,570542,579645,618819,668700,690877,786020,825748,858831,874812,917475,991192,1001430,1139086,1140774,1176699,1190123,1199517,1226674,1235030,1287524,1300614,1302410,1323246,1323255,1366141,1406474,1503867,1506024,1558266,1591666,1616889,1628483,1648246,1648425,1652207,1671767,1727620,1735600,1751880,1771169,1777049,1791573,1829128,1878107,1969188,2004090,2070572,2077175,2077175,2088194,2208859,2225712,2243707,2298252,2348019,2430721,2487989,2515701,2523283,2566627,2567122,2570077,2642301,2669449,2687467,2717521,2840068,2872480,2892078,2893009,2916580,2920473,2921768,2924429,2945870,2949404,2949404,3022006,3036627,3047134,3056987,3063086,3069688,3090377,3114625,3114646,3129081,3173552,3174466,3218316,3234326,3281033,3318190,3323515,3325933,3325951,3329950,3372065,3443954,3461451,3590121,3590123,3626498,3656703,3660130,3702246,3736626,3823333,3930805,4027298,4029717,4062159,4116942,4190859,4219265,4240902,4435988,4481369,4481765,4574815,4632594,4730591,4769019,5047795,5289491,5289545,5292881,5391903,5518588,5540117,5540117,5586047,5587985,5640286,5697314,5712360,5717096,5740540,5751925,5856179,5874710,6058615,6298659,6308575,6425704,6583433,6606771,6796242,6847430,7012557,7014668,7090781,7094325,7113411,7189249,7332240,7547323,7717981,7882414,7901646,8029481,8090742,8117307,8226583,8226997,8226997,8359810,8620083,8660721,8673240,8834626,9268218,9416995,9462509,9569133,9648545,9755697,9806334,9811171,9861527,9921194,10014557,10293871,10328937,10329013,10337906,10360322,10360915,10380558,10382255,10382304,10553043,10573994,10594406,10607838,10650891,10680427,10758968,10798680,10808689,10846707,10885381,10905841,10942146,10954400,11018420,11043156,11072527,11109233,11182917,11299724,11393812,11468327,11471648,11474387,11559225,11669590,11698208,11805081,11805442,11878024,11947924,11960738,12049817,12106733,12328746,12387700,12618411,12667266,12813731,12969019,13004893,13037379,13401263,13532062,13574101,13718716,13914157,14161649,14241662,14290918,14320517,14412240,14672508,14713923,14746115,14746120,14906205,14992117,15012549,15026991,15039792,15159456,15251461,15368851,15561312,15722925,15778457,15778704,15778818,15829026,15978248,15996046,16042844,16225610,16409230,16621593,17115928,17170099,17238070,17252484,17378610,17382042,17425237,17449730,17504215,17586371,17674024,17720606,17753979,17800186,17801223,17801302,17801426,17823745,17865569,17884227,17884262,17908215,17908304,18058204,18205747,18205747,18376269,18417519,18485332,18505531,18527778,18563184,18673131,18679470,18687400,18692491,18699610,18717589,18760251,19041550,19045052,19217866,19296323,19582677,19591076,19622278,19640649,19827440,19829595,19849524,19923513,19998527,20002436,20007165,20083197,20147598,20174546,20207514,20216055,20220782,20232995,20480829,20558182,20684184,20720709,20759965,20760145,20760260,20760262,20783559,20787617,20794582,20829182,20831504,20837947,20838026,20841332,20995816,21036560,21062422,21103815,21215705,21292036,21627243,21627251,21627258,21641637,21683886,21764781,21926137,22086266,22119962,22120076,22228597,22447230,22635047,22642557,22706309,22778967,22792135,22841934,22845111,22906493,23043676,23047742,23193931,23421676,23484815,23484840,23588655,23695399,23697343,23755474,23876158,23876500,23877002,23887618,23919309,24003644,24003647,24073785,24093074,24155231,24207095,24301464,24416846,24429429,24796896,24798057,24818800,25030190,25074833,25162949,25168522,25203562,25297409,25385188,25398621,25450542,25529458,25679184,25679401,25680069,25703903,25851161,25852146,25901925,26028892,26031898,26036611,26152384,26157620,26223315,26233055,26244229,26268000,26293391,26306804,26347950,26467379,26473542,26847197,26854085,26914106,26985275,27119811,27120869,27167288,27167328,27292501,27292501,27458960,27462979,27947595,28291588,28313061,28772649,28954357,29015125,29604021,29758209,29800189,30157198,30480195,30528105,30624428,30746340,31271471,31280393,31434914,31521980,31668457,31818700,32043063,32797911,32803319,32964867,33304425,33756795,33792016,33863120,34361296,34541581,35037677,35643760,35912300,35949105,36736758,37345315,39951483,40032009,40393861,40429942,40458818,40729977,41280550,41368687,41548324,41548392,44409262,45698778,47661839,49094535,49364987,55295163,56425722,66023288,68031158,68505364]}} \ No newline at end of file diff --git a/public/idcode.txt b/public/idcode.txt index c8af597d..88049cef 100644 --- a/public/idcode.txt +++ b/public/idcode.txt @@ -8059,6 +8059,7 @@ gGQ@@dtuT@@ Tert-Amyl alcohol efuvDDBCLjohTtGPHbBH@zCcISg@MEDdediEKEDdeleEDdeUDeddeIIitMLmbSRsSr[[PPQUSTtrmMLtp@UUTUL@DNPsLdh XF-73 ek`XBL@AJfmc`HcpHVdLbbRrTTTTRTTbmThXLlbFRr`@j`ZBiXibJAq@@ Laropiprant ffs``@H`YdTTTTTLQbJrxkUg^bfBH@bBjhb@@ Propylnorapomorphine +dkM@iJXIBJAICI@iBNj\bdEfbRtzk`@@@ Benzenediazonium tetrafluoroborate gGPFAHR`Taj@rEdDfzj`@ Diboron tetrafluoride gjLf`X@@DAX]^_@FF`px|W@Sjln@yEEEEEiEEmMhXmDhmDhiileeMDdimMDdeEFhBIFfku^_PTKUMUTuUUUUTtuUTmUUSURsUUT@@@ Zotarolimus gC`hEaDIML@@ Chloroformic acid @@ -16887,6 +16888,8 @@ fncab@KDeTDPdsJnnkJzpVRpPQUU@AP@@@ 25C-NB4OMe fncab@KDdTEXdsJnnkJvpVZpPQUU@DP@@@ 25I-NB3OMe fika`@O@LWIEMDeDbedhhdnBZN`HJjj```@@@ 25iP-NBOMe gnIeph@HDEBpLAXePZMNwHZKD@X|HfWh\A`xXOTYrJIQQJJIQQSJZIFEJZJKKUISQKYQJISIJYGSYB^_NPjUjcIkwyjjjffBjjBjajZjjYZjZjiifIjDXHPSBAITTjYevP@ Moroidin +e`rp@d@HDLBAEKGHbjfnf^SP@cpHrRPzJJIQISJQYQqHrIQZJQVXzVO@trznvnkUUUUSRuUUUUSUUSUUeBXgBdfbret^WtAfLEcl@@ Atractyloside +edrp@bBLBJFECO@lfnaiaYWPLbCHPBH``BXIXx[l@tdNbbbTRTrdVT\RLbTVbdUfMg`JONmh_hZuUUUTtmUUUUTuUTuUYpaIHmIXji}@UCDYSEXG@@ Atractyloside e`X\ID@MDcbEO@aiego`HcbHrJJKQFYQQFIJZJVZLBEUPPQMTuUTuTqTFJIESj[P@ Kaitocephalin eMIH~GxRZ@ Gallium(I) oxide gJR@aDQJyJ][@@ Cyanogen azide @@ -17240,6 +17243,7 @@ dg~@@@RYfUWd}mh@@@@@@ Benzophenone imine deT@H@qBqAqIqDfYu[hHB`@@ 1,2,4,5-Tetrabromobenzene fe{qaBIZSAF@AD}CGSgIIKDeMeDedhd`IPX}Fm@DL@E@@@@@ Metanil Yellow dmtL@@QTfyeQehBA@@ 2-Carboxybenzaldehyde +foAQ@BHH@ChRdrsJkjlYtt@@@@@@ Azoxybenzene ekh\H@@DIA`LbbTTRRTRvfRRatTlLBRJZfzFZjjjjhHFJjbppbdl`@ Amesergide gGP@Dkij`@ Neohexene gNTMlpNPHHPEgGdEMnp@ Barium thiocyanate @@ -19508,6 +19512,7 @@ gGQHLLQI[ih@ Bromomethyl ethyl ketone fhfHZEdLTzFBTxJVcV|D@d@tScb\r^\KeSkc\z_\GlBTATATATZZZZ@@ Hafnium nitrate eodZLL@MHjfebKG`HaBPpdLbdJbRrTtRRRbbRQdTRrVvNnjh@JX@JfjjAhCh@@ Asciminib fns@`@@RrJJIKJSQSRHqgOIKV@`jjjjfJHJJfeZ@@ Avarol +fdlPX`ZRHs`eZMYw`qAfPsDYfLpFpuFxvdl{gReWZxwVys^XKQ[@@JhBh@@@tt@@ Antimony(III) oxide hydroxide nitrate fjsa`@L`x[IEEEDhidhobTdzp_QSf`jBjJjhZhbTcDiQP@ (+)-Morphine gJYheLQbJSrRuL@@ Bromine nitrate gGPTHlQHVPRUZj@@ Tetraoxygen difluoride @@ -21901,5 +21906,6 @@ ff}qB@MV|PDPdsJ~kZrkAEkAAESU@@@@@ BW-501C67 dknD@MBdin]vxZB@j`@@ 4-Hydroxy-3-methoxyamphetamine dcm@@@UJfU]IivhFBH@@ Isotryptamine dgoEaj[hSBFUt{CZjVgigmz~RjuYfZjfY`@ Protactinyl nitrate -fhi@Q@DJuxFIKDrJIRIPsESQoAjjjjjj@@ Dibromo neopentyl glycol diglycidyl ether +fhi@Q@NBmxFHsDRVe]Ufl{pZjjjjj`@@ Dibromo neopentyl glycol diglycidyl ether fhaAp@@ZMYw`iRmMJjuUUUUP@@ Dipentaerythritol +fhy``@N@PdrsKsoSbk^Bu@p@@P@@@ Bentranil diff --git a/public/smiles.txt b/public/smiles.txt index c6801590..fc3d0f7a 100644 --- a/public/smiles.txt +++ b/public/smiles.txt @@ -8059,6 +8059,7 @@ Tert-Amyl alcohol CCC(C)(C)O XF-73 C[N+](C)(C)CCCOC(C=C1)=CC=C1/C(C2=CC=C(/C=C3C=CC(/C(C4=CC=C(OCCC[N+](C)(C)C)C=C4)=C(N/5)/C=CC5=C\6)=N/3)N2)=C7N=C6C=C/7.[Cl-].[Cl-] Laropiprant CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CC[C@@H]3CC(=O)O)CC4=CC=C(C=C4)Cl)F Propylnorapomorphine CCCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O +Benzenediazonium tetrafluoroborate [B-](F)(F)(F)F.C1=CC=C(C=C1)[N+]#N Diboron tetrafluoride FB(F)B(F)F Zotarolimus CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)n5cnnn5)C)C)O)OC)C)C)C)OC Chloroformic acid ClC(=O)O @@ -16887,6 +16888,8 @@ Anagyrine C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O 25I-NB3OMe COC1=CC=CC(=C1)CNCCC2=CC(=C(C=C2OC)I)OC 25iP-NBOMe CC(C)C1=C(C=C(C(=C1)OC)CCNCC2=CC=CC=C2OC)OC Moroidin CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H]2Cc3c4ccc(cc4[nH]c3-n5cc(nc5)C[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCNC(=[NH2+])N)C(=O)[O-])[C@H]([C@@H](C(=O)N1)NC(=O)[C@@H]6CCC(=O)N6)C(C)C)C(C)C +Atractyloside CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)O)OS(=O)(=O)O +Atractyloside C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1O.[K+].[K+] Kaitocephalin O=C(O)[C@H](N)[C@H](O)[C@]2(C(=O)O)N[C@@H](C[C@H](NC(=O)c1cc(Cl)c(O)c(Cl)c1)C(=O)O)CC2 Gallium(I) oxide O([Ga])[Ga] Cyanogen azide C(#N)N=[N+]=[N-] @@ -17240,6 +17243,7 @@ Benzophenone imine C1=CC=C(C=C1)C(=N)C2=CC=CC=C2 1,2,4,5-Tetrabromobenzene C1=C(C(=CC(=C1Br)Br)Br)Br Metanil Yellow C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+] 2-Carboxybenzaldehyde C1=CC=C(C(=C1)C=O)C(=O)O +Azoxybenzene C1=CC=C(C=C1)N=[N+](C2=CC=CC=C2)[O-] Amesergide CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)NC4CCCCC4)C5=C2C1=CC=C5 Neohexene CC(C)(C)C=C Barium thiocyanate C(#N)[S-].C(#N)[S-].[Ba+2] @@ -19508,6 +19512,7 @@ Bromomethyl ethyl ketone CCC(=O)CBr Hafnium nitrate [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Hf+4] Asciminib O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1 Avarol C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C +Antimony(III) oxide hydroxide nitrate [Sb+3].[Sb+3].[Sb+3].[Sb+3].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].O=[N+]([O-])[O-].O=[N+]([O-])[O-] (+)-Morphine CN1CC[C@@]23[C@H]4[C@@H]1CC5=C2C(=C(C=C5)O)O[C@@H]3[C@@H](C=C4)O Bromine nitrate [N+](=O)([O-])OBr Tetraoxygen difluoride FOOOOF @@ -21901,5 +21906,6 @@ BW-501C67 C1=CC=C(C=C1)NCC(=NCCCOC2=CC=CC=C2Cl)N 4-Hydroxy-3-methoxyamphetamine CC(CC1=CC(=C(C=C1)O)OC)N Isotryptamine C1=CC=C2C(=C1)C=CN2CCN Protactinyl nitrate [Pa](O[N+]([O-])=O)(O[N+]([O-])=O)(O[N+]([O-])=O)=O -Dibromo neopentyl glycol diglycidyl ether CC(C)(C(OCC1CO1)Br)C(OCC2CO2)Br +Dibromo neopentyl glycol diglycidyl ether BrCC(COCC1CO1)(COCC2CO2)CBr Dipentaerythritol C(C(CO)(CO)COCC(CO)(CO)CO)O +Bentranil C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 diff --git a/stats.json b/stats.json index 27cedc3f..04355ba0 100644 --- a/stats.json +++ b/stats.json @@ -3544,5 +3544,6 @@ {"date":"2024-11-14T03:40:29.976Z","molecules":21885,"errors":17,"nogood":12,"notfound":2426,"dup":540}, {"date":"2024-11-15T03:43:45.564Z","molecules":21901,"errors":17,"nogood":12,"notfound":2422,"dup":540}, {"date":"2024-11-16T03:42:44.918Z","molecules":21906,"errors":17,"nogood":12,"notfound":2420,"dup":540}, -{"date":"2024-11-17T03:44:20.636Z","molecules":21905,"errors":17,"nogood":12,"notfound":2419,"dup":540} +{"date":"2024-11-17T03:44:20.636Z","molecules":21905,"errors":17,"nogood":12,"notfound":2419,"dup":540}, +{"date":"2024-11-18T03:44:08.306Z","molecules":21911,"errors":17,"nogood":12,"notfound":2417,"dup":540} ] \ No newline at end of file