Added 102 molecules from epoch 17029 for B1WC68
Browse files- B1WC68_molecules.csv +102 -0
B1WC68_molecules.csv
CHANGED
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@@ -33329,3 +33329,105 @@ rxn:2:97823:115389,CCC(C(NC1CCN(c2ccc(OC)cc2)C1)c1ccc2c(c1)CCCC2)N1CCCC1,RYPZAZV
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| 33329 |
rxn:2:98166:130197,CCC(NC1CN(C)CC1c1ccc2c(c1)OCCO2)c1ccc(N2CCN(C)CC2)nc1C,UWEZBBRUQCQVRQ-UHFFFAOYSA-N
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| 33330 |
rxn:2:98179:78304,Cc1cc(CCN2CCN(C)CC2)cc(NC(c2ccccn2)C2CCN(C)CC2)c1C,WWDYOTKGDOHOTM-UHFFFAOYSA-N
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| 33331 |
rxn:2:99044:103107,CCOCC1CN(c2ccc(NC(CC)c3cnc(N4CCN(C)CC4)c(C)c3)cc2)CC1C,HCQMZCCBGALWIU-UHFFFAOYSA-N
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| 33329 |
rxn:2:98166:130197,CCC(NC1CN(C)CC1c1ccc2c(c1)OCCO2)c1ccc(N2CCN(C)CC2)nc1C,UWEZBBRUQCQVRQ-UHFFFAOYSA-N
|
| 33330 |
rxn:2:98179:78304,Cc1cc(CCN2CCN(C)CC2)cc(NC(c2ccccn2)C2CCN(C)CC2)c1C,WWDYOTKGDOHOTM-UHFFFAOYSA-N
|
| 33331 |
rxn:2:99044:103107,CCOCC1CN(c2ccc(NC(CC)c3cnc(N4CCN(C)CC4)c(C)c3)cc2)CC1C,HCQMZCCBGALWIU-UHFFFAOYSA-N
|
| 33332 |
+
00EE8C0782CE24D8_9BFC982F367671E0_6038_UN,O(CC1C2CCC#CCCC12)C(C3=CC(=CO3)[S](N)(=O)=O)=O,PNTGLZXBLKOOEJ-UHFFFAOYSA-N
|
| 33333 |
+
043458048B4F9DA8_F73D9F32B7E6A0FD_7019_UN,NC1=NC2=C(C=C1)C(=CC(=O)N2)C=CC3=CC=C(C=C3)C4=C(C=CC=C4)C#N,SGPDUWHHMZSYRJ-UHFFFAOYSA-N
|
| 33334 |
+
04384B3BB3A18AFA_1367A8C230A9358E_6029_UN,OCCCN(C(=C1N=CC=CC1=O)O)[S](C2=CSC(=C2)I)(=O)=O,NMIZTPXUKIDNIV-UHFFFAOYSA-N
|
| 33335 |
+
047E43AAA54E4B4D_9AE855444CB0D253_6035_UN,O(CC1=CC2=C(C=C1)OCO2)C3=CC=CC4=C3CCC(C)(C)O4,ZOTMKMBBRZYSOE-UHFFFAOYSA-N
|
| 33336 |
+
0A2283BB5A72CB68_C69F02B18B67B8D3_6038_UN,CC(=C(C#N)C1=CSC(=N1)N)NC(=O)C23CC(F)(C2)C3,CSOPWOAFQJDLFY-UHFFFAOYSA-N
|
| 33337 |
+
0A781346F3AC82AA_12C302968233D0E5_6038_UN,O(C1=CC2=C(C=C1)OCO2)C(CC3=CC=C(OC)C=C3)=O,CBLWGZNUAXUGDT-UHFFFAOYSA-N
|
| 33338 |
+
0DCE7DC44FEE4B0A_944A71B48A07ABF0_6029_UN,N(OCC1(CCC1)F)[S](C2=C([S](Cl)(=O)=O)SC=C2)(=O)=O,HDSUICAHAQOZNI-UHFFFAOYSA-N
|
| 33339 |
+
10D265928948EC93_8BC30F07D7722228_6026_UN,O=[N](=O)C2=C1C=CC=NC1=C(C=C2)[S](=O)(=O)NCC(C)=C,KNPKAESJNZQDTD-UHFFFAOYSA-N
|
| 33340 |
+
1312ABDCEA2C827E_3C0352F86ECE3230_6036_UN,C(CCNC(=C1N=CC=CC1=O)O)N([S](C)(=O)=O)CC[S](=O)(=O)Cl,CTJQWQODVXUYGQ-UHFFFAOYSA-N
|
| 33341 |
+
16CA34DFE694073B_656A191C5301B81A_7022_UN,C2(=CC1=C(C(=CC=C1)F)S2)N(C(C)=C3C=CC(=N[S](=O)(=O)C)C=C3)O,ATAGMPGDGUYCOT-UHFFFAOYSA-N
|
| 33342 |
+
17CE47256C7A70AE_CB3EE4CB5F08BB9E_6029_UN,CC(=C1C=CC(=N[S](=O)(=O)C)C=C1)N(O)[S](C2=CC=C(C=C2)C4=NC3=C(C(CCC3)=O)S4)(=O)=O,QOINLZCHRIBSBN-UHFFFAOYSA-N
|
| 33343 |
+
1FAB624A3011811B_AE223FA8C59CB9A5_6038_UN,CN1CC(C1)OC(C3=CC=C(O[S](C2=C(C=CC(=C2)C)C)(=O)=O)C=C3)=O,DIUVSHXQBQRPJX-UHFFFAOYSA-N
|
| 33344 |
+
250AEC106E86DE6C_093391AADEDC5FF9_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)NCCC2=CN=C(C=C2)N3CCC3)F,AMIPVFSMAIFXPJ-UHFFFAOYSA-N
|
| 33345 |
+
2955C4EC1D3ED9E9_C7C4678A9C99B779_6029_UN,N([S](=O)(=O)OC1=CC(=CC=C1)C#N)[S](C2=NC=C3C(=C2)C=N[NH]3)(=O)=O,WTAYRSDKTWLNKQ-UHFFFAOYSA-N
|
| 33346 |
+
2BDE6208F2054F9F_DBDB3455CB779415_6029_UN,CCON1CCN(CC1)[S](C2=CC=CC(=C2)C(C(C(OC)=O)=C)O)(=O)=O,ZIYDSCSMHXLLEZ-UHFFFAOYSA-N
|
| 33347 |
+
2D2DA2BED07A1DB0_F18160BE8DA83E74_7022_UN,C1(=CN=C(C=C1)[N](=O)=O)N(C(C)=C2C=CC(=N[S](=O)(=O)C)C=C2)O,OWIYDSQFXPXNTF-UHFFFAOYSA-N
|
| 33348 |
+
3279282ED5A58FD8_079C51CC668256A8_6039_UN,COC1=C(C(=NC(N1)=N)N2CCOCC2)COCC3=CC(=C4C(=C3)OCO4)C5=CN=CC(=C5)F,AQLNSCJGMKAKJX-UHFFFAOYSA-N
|
| 33349 |
+
342E1299013C2BBC_A36CF31CEF2569FF_6029_UN,CC1=CSC(=C(N=O)C#N)N1[S](C3=C(C2(C)CC2)C=CC=C3)(=O)=O,SBTRBKOUSLZTKB-UHFFFAOYSA-N
|
| 33350 |
+
35C2E027D6721A95_D06AF0E125C3D4C1_6029_UN,COC(=O)C3=NOC1(CN(C1)[S](C2=CC(=C(C=C2)Cl)OCOC)(=O)=O)C3,YLTIPVILWQIBPF-UHFFFAOYSA-N
|
| 33351 |
+
36443279DD3B7CB7_148B6A2B85C3901E_6029_UN,O[P](=O)(O)C1CCN(CC1)[S](C2=C(C=CC(=C2)Cl)OCC3CO3)(=O)=O,MTZVEWXHWKQNIG-UHFFFAOYSA-N
|
| 33352 |
+
3F87A124B6FF5BB6_94E8B4B9C428961B_6029_UN,CC(=C1C=CC(=N[S](=O)(=O)C)C=C1)N(O)[S](C3=C2C=CC=CC2=CC=C3)(=O)=O,NLANVYLWHZPVBE-UHFFFAOYSA-N
|
| 33353 |
+
5A45C16900A86964_4800A64D7CB6A1F8_7009_UN,N([S](=O)(=O)C1=CC=CC=C1)C(=O)C2=CN(O)C(=O)NC2=O,RVYAKPKLILQIOJ-UHFFFAOYSA-N
|
| 33354 |
+
5E2CC7EC60909B06_7B48B4325FF88FD9_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(C#CC2(C)COC2)=O,STHRUUFKSSNOPP-UHFFFAOYSA-N
|
| 33355 |
+
5F7095FC71009152_4874551C30FC9C3A_6003_UN,CN2CCC(OC1=C(C(=CC=C1)[S](N)(=O)=O)[N](=O)=O)(CC2)C3=NC(=CC=C3)Cl,HSYITLJDXABPEI-UHFFFAOYSA-N
|
| 33356 |
+
5FE286B4F9FF6B20_A33CCD3823726157_6031_UN,CNC(=NCC(=O)OC[C@@H](CC)NC1=NC=C(C=C1)Br)NC,OJVWQELWODCSPL-LLVKDONJSA-N
|
| 33357 |
+
64467697029B9EBC_3A91FB263AE3392F_6029_UN,N(CC1=CC(=NC=C1)N2CCCCCC2)[S](C3=CC(=C(C=C3[N](=O)=O)[S](=O)(=O)Cl)C)(=O)=O,PPWWTCYOXNTQBN-UHFFFAOYSA-N
|
| 33358 |
+
662405C3EE70CA8E_D7D74C3B6DA6061D_7019_UN,CCC3CCC(C=CC1=CC=C(C=C1)C2CCC2)CC3,FRSZIXKBLGFDMT-UHFFFAOYSA-N
|
| 33359 |
+
663826219708A21A_CEFF126F0EB349AE_6034_UN,O=C1N(C(=NC2=C1C(=CS2)C3=CC=CC=C3)CC#N)C(CC)=CC#N,MVUOAAUYKKHYMD-UHFFFAOYSA-N
|
| 33360 |
+
66FA4858FFAEE598_30B83E7A6B121F98_7015_UN,ClCC(=O)C(=C1N(C(=CS1)C34CC2CC(CC(C2)C3)C4)[S](CO)(=O)=O)C#N,CYEDSDVTLPNWTD-UHFFFAOYSA-N
|
| 33361 |
+
6F3C37D26C586287_0C8D6D6F9B4C8715_6026_UN,ClC1=C(C=CC(=C1)[S](=O)(=O)N3N=C2COC4=C(N2C3(C)C)C=CC=C4)C#N,HIBWGTNRAIBGOE-UHFFFAOYSA-N
|
| 33362 |
+
741C9E862FCC8DF0_AEEFA9B86F293DCE_6038_DP,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(C(C2=CCNC2)(C)C)=O,MYWXQHXWYRBDMB-UHFFFAOYSA-N
|
| 33363 |
+
775CB4000E893872_A63B960E8CA6CA32_6038_UN,N(CCC(=O)NC(=O)N)C(C1=CC(=CC(=C1)CC)F)=O,RPIBAXYLXQPKQU-UHFFFAOYSA-N
|
| 33364 |
+
7DCF50EB491A7DE9_D8126DD9A8C1C716_7019_UN,CCCN(CCC)CC=CC1CCCCCCCCCCC1,NVRGMVFFEYVPAL-UHFFFAOYSA-N
|
| 33365 |
+
7E5583C841B5DAC1_766547DEA4D75EDA_6035_UN,CCCC3CCC(OC1=CC(=CC=C1)C2CCOCC2)CC3,UOJMUNBNWCKLRG-UHFFFAOYSA-N
|
| 33366 |
+
7E8024F2F4FE7D02_2F3761D57F3E8C5B_6016_UN,OC1(CNC1)C2=CC(=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4,IZWOKGYRKDNGSL-UHFFFAOYSA-N
|
| 33367 |
+
845EAE07751200A7_A10C0324786A901A_6038_UN,CC(C)CC(NC(CCC[Si](C)(C)C)=O)C(=O)NC1=NC=CS1,QUHBLPMRTRRVRR-UHFFFAOYSA-N
|
| 33368 |
+
8740A7F540155C2E_6717B94A46CA06E8_6031_UN,O(C(=O)C(=C)C1CCC1)CCOCCNC2=NC=C(C=C2)Br,QUVDLPJGKWTTQX-UHFFFAOYSA-N
|
| 33369 |
+
87BB33F75E969CB5_FC993E69D8637D26_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=CC(=C([N](=O)=O)C=C2)F)(=O)=O,FMFFMLGTYJLPFM-UHFFFAOYSA-N
|
| 33370 |
+
88BDE22B19E23D86_1F5C0B0386642F0F_6031_UN,O(C(=O)[C]2(C[C]1(C[CH2]C1)C2)C3=CC=CS3)CC[S](=O)(=O)O,YZWDWGITNMCNNY-UHFFFAOYSA-N
|
| 33371 |
+
8DB2E1C3374D7AB1_76DC4997450DFDF2_6029_UN,CC(=C1C=CC(=N[S](=O)(=O)C)C=C1)N(O)[S](C2=C[N](N=C2)C3CC3)(=O)=O,MVYWSCSFCJZCST-UHFFFAOYSA-N
|
| 33372 |
+
9087C4F50AD903B1_A920B3DBC1A32388_6038_UN,O(C1=CC=C(C=C1)[S](=O)(=O)O)C(=O)C3=CC2=C(CCCCC2)S3,BEHPFTCHDARJBB-UHFFFAOYSA-N
|
| 33373 |
+
96A7361B19CF9CE3_CD5993EA69B9C25E_6043_UN,ONC(=O)C1=CC=C(C=C1)N[S](=O)(=O)C2=CC=C(C=C2)CN=C=S,PGFOSBOXAFFAFK-UHFFFAOYSA-N
|
| 33374 |
+
9738818276676591_635E6638B3681047_6038_UN,CC(C)(C)[Si](C)(C)OCCOC(=O)CCCN1C(=O)NNC1=O,MEPPAAKZBZWZEM-UHFFFAOYSA-N
|
| 33375 |
+
9849C767943A3F14_57071C78C5F84610_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)NCCC2=CN=C(C=C2)N3CCC3)Cl,JZNUOERDIXYXQH-UHFFFAOYSA-N
|
| 33376 |
+
99678F78ECFA1D4F_74B3A5A8AD637840_6041_DP,C2(=C1C(=C[NH]C1=NC=C2)CC#N)NCC(C3CNC3)F,DQUXOWAIZLGTKI-UHFFFAOYSA-N
|
| 33377 |
+
9E385CE82AEE6ECE_EF4623C61E9C99E9_7019_UN,C(C1=NC(=O)NN1)=CC2=CC(=CC=C2)OCC3=CC(=CC=C3)C#N,ALKCTSGXUSZXRC-UHFFFAOYSA-N
|
| 33378 |
+
A8C7DE7DDAFB9814_975C19FB57803ED6_2201_UN,BrC1=CC(=CC=C1)C3=NC2=C(C(=C(C)S2)C)C(=C3C4CC4)C5=CC=C(C=C5)C,OLGPBZPGGHCCQR-UHFFFAOYSA-N
|
| 33379 |
+
A98A30F1C3280BAA_797E5B149D2108BA_6041_UN,CC(C)OC1=NC(=C(C=C1)NC(C(OC)=O)CC(=C)C)C#N,NWHUYYZCYZRTDE-UHFFFAOYSA-N
|
| 33380 |
+
A9D5BA15E9554567_FEBB65E60CAC845E_6029_UN,N(CC[S](=O)(=O)O)[S](C1=CC=CC(=C1)C2(C)CCO2)(=O)=O,CLXVBZFWQNLXLR-UHFFFAOYSA-N
|
| 33381 |
+
AA20AEF6E0AF0CDD_E4582A8B71070F20_6029_UN,CC(CO)N1CCCN(CC1)[S](C3=C(OC2=C(C=C([N](=O)=O)C=C2)Cl)C=CC=C3)(=O)=O,MWLGKAOJRZHXQZ-UHFFFAOYSA-N
|
| 33382 |
+
AC28D6E2B2CF5A48_675398AC87438ABC_6009_UN,O[C@@H]1CCCC=C1CCC(C)(O)CC2CC3CCC2C3,QJFYFNVGRPFJPS-FCWBMGTOSA-N
|
| 33383 |
+
AC7D6E6519B353A5_FFC02903C2791792_6031_UN,O(C(=O)CCNC(=C1C(C=CC=N1)=O)O)CCN(C)CC2=C(C=CC(=C2)N)Cl,RAKRXZNROGOKIQ-UHFFFAOYSA-N
|
| 33384 |
+
B248FAD382D0351F_238B2585C6997DA0_6031_DP,N1C[Si](C)(C)CC1C(=O)OCC2=C(N=C(CCCC)[N]2CC3=CC=C(C=C3)C4=C(C=CC=C4)C5=NN=N[NH]5)Cl,YMBCAJRIMITGOR-UHFFFAOYSA-N
|
| 33385 |
+
B31D978560EACEC7_82767CEEAC998AEA_7022_UN,C2(=CC1=C(C(=CC=C1)Cl)S2)N(C(C)=C3C=CC(=N[S](=O)(=O)C)C=C3)O,UCVHQTFBSWGRIA-UHFFFAOYSA-N
|
| 33386 |
+
B33CC5E1EE690800_2DA2C03AB3BA6AD7_6038_UN,CC(C)(C)[Si](C)(C)OCC#CCOC(=O)C1=NC(=O)NN1,AZKOOFLXINNLBD-UHFFFAOYSA-N
|
| 33387 |
+
B4F73A04C9161E19_F8246BC5C632D31E_7009_UN,C[P](=O)(C)C1=CC(=CC=C1)[S](=O)(=O)NC(=O)C23CC(Br)(C2)C3,RRPKBAQESSDBGM-UHFFFAOYSA-N
|
| 33388 |
+
C5C51AE3C3186B38_C3B058B7EEB02F95_2201_UN,ClC1=CC(=CC=C1)C3=NC2=C(C(=C(C)S2)C)C(=C3C4CC4)C5=CC=C(C=C5)C,MVPGTXVCKXXUMZ-UHFFFAOYSA-N
|
| 33389 |
+
C60F42DD118C30FB_C513D3B0536571F9_6031_UN,CC2=C(CC1=C(C=CC=C1)O2)C(=O)OCC3=CC=C(OC)C=C3,BTGKPNRVTIRAQQ-UHFFFAOYSA-N
|
| 33390 |
+
CA7AF30066445CDF_8841B1AE0FC42D9A_6026_UN,O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)NCCC2=CN=C(C=C2)N3CCC3)Br,QTNMYPFBVKMXIV-UHFFFAOYSA-N
|
| 33391 |
+
CC569943505FC991_AA0DCCA3772BDBE3_7019_UN,CCC3CCC(C=CC1=C(C=CC=C1)C2CCC2)CC3,LKIIJAUBSTYSGH-UHFFFAOYSA-N
|
| 33392 |
+
CE31CB07364B0740_13EB4F1C9B3B0E7A_6028_UN,CCN2CCN(N[S](C1=C([N](=O)=O)C=C(C=C1)C(F)(F)F)(=O)=O)C2=O,SQZGEWKMXGZSEG-UHFFFAOYSA-N
|
| 33393 |
+
DAB65263C42AE728_748D2AC8F3614D79_7019_UN,C(CC1CC1)=CC2=C(C)C=C(C=C2O)OCC3=CC=CC=C3,XGHDZKRDMPAZHX-UHFFFAOYSA-N
|
| 33394 |
+
DFE28138131EB119_FBE78BBB620EDB4D_6029_UN,CC1=CSC(=C(N=O)C#N)N1[S](C3=CC=C(C2(C)CC2)C=C3)(=O)=O,PURKPCONEDYUDA-UHFFFAOYSA-N
|
| 33395 |
+
E27A7608C7784B57_5FD565E6353D1D70_6031_DP,CCOC(=O)CON=C(C(=O)OCC(=C1CNC1)F)C2=N[NH]C=C2,JVMNHZQCYLTARN-UHFFFAOYSA-N
|
| 33396 |
+
E7A56A481CD7FA9B_C91573F27A254417_6038_UN,O(C1=C(C=C(C=C1)[S](=O)(=O)Cl)F)C(CN2CC(C)(C2)C)=O,AQIZKFQYMBLTRY-UHFFFAOYSA-N
|
| 33397 |
+
EB25E700B13A17DB_D03FA49F59436B73_7009_DP,N([S](=O)(=O)C1=C(N=CC=C1)[N](=O)=O)C(C3=CC2CCC(N2)C3)=O,OZUKLNWCENFATA-UHFFFAOYSA-N
|
| 33398 |
+
EE5520ABEA5D12F6_29EC72999FF23E51_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NOC(=C2)C(CBr)=O)(=O)=O,XKKAZXUIUYESNA-UHFFFAOYSA-N
|
| 33399 |
+
EFA19BA707CE9FBD_2C22B862E3828CE3_6038_UN,N(CCS[S](=O)(=O)O)C(=O)C23CC1CC(F)(CC(F)(C1)C2)C3,XPZYBLZTYRPQQS-UHFFFAOYSA-N
|
| 33400 |
+
F4EEBE7E39762761_6FF8952E5F91A8F5_6041_DP,OC(=O)C(=O)C1=CC=C(S1)NCC2(CNC2)COCC[Si](C)(C)C,DASSOQBRFQLSEZ-UHFFFAOYSA-N
|
| 33401 |
+
F52F01B4A9FF623C_0BB137B9922B6510_6041_UN,C1(=CC(=CC=C1)C2(CCC2)C#N)NCCOCC(C)=C,NXUFNJQRRBKNJH-UHFFFAOYSA-N
|
| 33402 |
+
F77F48DD2C3E7D8A_CF8F284E9AD36C45_7022_DP,C1(=CC=C(C#N)O1)NCC2(CNC2)COCC[Si](C)(C)C,NGLXHPWCPSFJNW-UHFFFAOYSA-N
|
| 33403 |
+
rxn:1:10460:62271,O=C(NCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1ccc(I)cc1,FHJUOWMEASFBFQ-UHFFFAOYSA-N
|
| 33404 |
+
rxn:1:537:62271,COC(=O)c1ccc(Br)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,GWAHGMKIUPIGKY-UHFFFAOYSA-N
|
| 33405 |
+
rxn:1:5434:62271,O=C(O)c1cc(Br)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,CSPXWBDQTJADNK-UHFFFAOYSA-N
|
| 33406 |
+
rxn:1:58009:29067,CC1(C)OB(C(F)=Cc2ccc(-c3cn(CC(=O)NC4(C#N)CCCCC4)nn3)cn2)OC1(C)C,HYACREBSFYYEJJ-UHFFFAOYSA-N
|
| 33407 |
+
rxn:1:595:62271,CC(C)(OC(=O)Cl)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,BQADBPCXZMZYKI-UHFFFAOYSA-N
|
| 33408 |
+
rxn:1:60331:11722,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(COC2CCC(N)CC2)nn1,TZHSLEZLFXTESB-UHFFFAOYSA-N
|
| 33409 |
+
rxn:1:62052:2555,N=c1c2nc(-n3cc(-c4cccc(S(=O)(=O)F)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,JUNUQFAVBQLETG-UHFFFAOYSA-N
|
| 33410 |
+
rxn:1:62052:2707,N=c1c2nc(-n3cc(-c4cccc(S(=O)(=O)Cl)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,RWCMRJVDOUSMOA-UHFFFAOYSA-N
|
| 33411 |
+
rxn:1:62052:31628,N=c1c2nc(-n3cc(C(=O)c4ccc(I)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,BSESJGSGGVATTE-UHFFFAOYSA-N
|
| 33412 |
+
rxn:1:62052:4157,C=C(Cl)CNCc1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,GYQYGLNTVHVJQV-UHFFFAOYSA-N
|
| 33413 |
+
rxn:1:62052:9483,N=c1c2nc(-n3cc(COC(=O)Nc4ccccc4Br)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,DXPNUTCTUNYMSR-UHFFFAOYSA-N
|
| 33414 |
+
rxn:1:62271:14488,CS(=O)(=O)c1cc(Br)ccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,UQTISRNDMVPGNY-UHFFFAOYSA-N
|
| 33415 |
+
rxn:1:62271:2697,O=[N+]([O-])c1cc(Cl)ccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,FIFBUPHHMNHZRE-UHFFFAOYSA-N
|
| 33416 |
+
rxn:1:62271:37773,O=[N+]([O-])c1cc(F)ccc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,JPQXYFKQFSPKJC-UHFFFAOYSA-N
|
| 33417 |
+
rxn:1:62271:7317,O=C(O)c1cc(I)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,IMHQYEZCSIDHAJ-UHFFFAOYSA-N
|
| 33418 |
+
rxn:2:102307:116028,CC1CCC(NC2CCCCCC2CN(C)CC2CC2)C1(C)C,LZAMWEOAKTYKKO-UHFFFAOYSA-N
|
| 33419 |
+
rxn:2:114498:121640,CCC(CN1CCC(N(C)C)CC1)NCc1ccc(C#CC2CC2)s1,OZRFMBBRRHUAGN-UHFFFAOYSA-N
|
| 33420 |
+
rxn:2:120015:156863,CCCC(C#CN1CCN(C)CC1)NC(C)(C)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C,BCGOCCYUWXXHNC-UHFFFAOYSA-N
|
| 33421 |
+
rxn:2:123196:133870,CCN1CC2C(F)(F)C(C1)C1(C)CC(Nc3n[nH]cc3N3CCC(CN(C)C)CC3)CC21C,HJCBGZRZAGSPFL-UHFFFAOYSA-N
|
| 33422 |
+
rxn:2:142060:141226,CCC(CNC1CCC1(C)F)N(C)C12CC3CC(CC(C3)C1)C2,NUDYWSIZOFHWIC-UHFFFAOYSA-N
|
| 33423 |
+
rxn:2:68402:85978,CCCC1CCC2(CC1)CCC(NC1c3ccccc3CCCC1(C)C)CC2,ORRUHVJMOJTHEU-UHFFFAOYSA-N
|
| 33424 |
+
rxn:2:76335:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCCCC2)cnn1C(C)C1CC1,RINLXDMKCFZQLG-UHFFFAOYSA-N
|
| 33425 |
+
rxn:2:76707:126600,Cc1ccc(C(C)NCC2(C3CCN(C)CC3)COC2)c(OS(=O)(=O)F)c1,SNTAPMSFIDWXKP-UHFFFAOYSA-N
|
| 33426 |
+
rxn:2:79439:103173,CN(CC1CCC(NCC2(C3CC3)CCC2)CC1)C(C)(C)C,ORJGPFKCHGMABA-UHFFFAOYSA-N
|
| 33427 |
+
rxn:2:84015:99413,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1(O[Si](C)(C)C)CN3CCC1CC3)C2,PEYFJZUTARFQNA-MFLJXGGJSA-M
|
| 33428 |
+
rxn:2:84594:118868,CN(C1CCC(NC2C3CCCCCC32)CC1)C(C)(C)C,OFFUZXQIAZQCGJ-UHFFFAOYSA-N
|
| 33429 |
+
rxn:2:87384:107686,CN(C1CC(NC2CC3CCC3C2)C12CCC2)C(C)(C)C,ZBYXVKBUDPMAHP-UHFFFAOYSA-N
|
| 33430 |
+
rxn:2:87384:90094,CN(C1CC(NC2CC[C@H]3CC[C@@H]23)C12CCC2)C(C)(C)C,SWTDOILAETXWMP-LIHZJYIUSA-N
|
| 33431 |
+
rxn:2:91416:125145,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC(=[Se])C1CC1)C2,CZEZUVHEBDYQFC-UHFFFAOYSA-N
|
| 33432 |
+
rxn:3:11519:51281:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccc(C4(C(=O)NC5CCCO5)CC4)cc3)C2(F)F)nn1,KODIPLYZSKQZRB-UHFFFAOYSA-O
|
| 33433 |
+
rxn:3:11519:51283:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccccc3C3(C(=O)NC4CCCO4)CC3)C2(F)F)nn1,RQMGKJVCJVPGKA-UHFFFAOYSA-O
|