Hugging Face's logo

Datasets:
Metanova
/
Submission-Archive

Modalities:
Text
Formats:
csv
Size:
1M - 10M
Libraries:
Datasets
Dask
Polars
Dataset card Data Studio Files
xet
Community
1
urdof7 commited on
Commit
73f287e
·
verified ·
1 Parent(s): 54578a0

Added 304 molecules from epoch 17423 for O15379

Browse files
Files changed (1) hide show
  1. O15379_molecules.csv +304 -0
O15379_molecules.csv CHANGED
@@ -26113,3 +26113,307 @@ rxn:2:97549:111610,CC(NC1(COS(=O)(=O)[O-])CCCC1)c1ccc(C#CCN(C)C)s1,LAAONVPMXPZLB
26113
  rxn:2:98744:148609,CCCC1(CN(C)C)CCC(NC(C)C(c2ccc3[nH]c(=O)oc3c2)N(C)C)CC1,ALOYUYPJTCBXPV-UHFFFAOYSA-N
26114
  rxn:2:99521:124420,CCN(CC(NCC12CC(S(C)(=O)=O)(CO1)C2)c1cccs1)C1CC1,WWCNPUNYFSNXFO-UHFFFAOYSA-N
26115
  rxn:2:99612:143480,CC(CCc1nc(C2CCCN(C)C2)cs1)NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1,KSOYVBAGMLHSAO-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
26113
  rxn:2:98744:148609,CCCC1(CN(C)C)CCC(NC(C)C(c2ccc3[nH]c(=O)oc3c2)N(C)C)CC1,ALOYUYPJTCBXPV-UHFFFAOYSA-N
26114
  rxn:2:99521:124420,CCN(CC(NCC12CC(S(C)(=O)=O)(CO1)C2)c1cccs1)C1CC1,WWCNPUNYFSNXFO-UHFFFAOYSA-N
26115
  rxn:2:99612:143480,CC(CCc1nc(C2CCCN(C)C2)cs1)NC1(C(c2ccc3oc(=O)[nH]c3c2)N(C)C)CC1,KSOYVBAGMLHSAO-UHFFFAOYSA-N
26116
+ rxn:2:100234:144460,CCC(NC1(c2nc(N3CCOCC3)n[nH]2)CC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,GMXDLBPHQWHLJU-UHFFFAOYSA-N
26117
+ rxn:2:100234:149822,CCC(NC1(c2nc(N3CCOCC3)n[nH]2)CC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,NHIGTMHOZFCZNI-UHFFFAOYSA-N
26118
+ rxn:2:100417:88564,C[C@H](NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2,BNYBEHZBJKXJKA-NLUALPKDSA-M
26119
+ rxn:2:100699:171582,CCCC(C(Nc1ccc(CN2CCN(CC)CC2)cn1)c1ccc2c(c1)CCCC2)N1CCCC1,ILJPOOBLAZNNRM-UHFFFAOYSA-N
26120
+ rxn:2:101296:155396,CC(=O)c1ccc(C2C(CSC(C)NCC(C)(C)CN3CCOCC3)C2(F)F)nc1,OBFXBTURERXRKD-UHFFFAOYSA-N
26121
+ rxn:2:101328:126600,Cc1ccc(C(C)NCC2CCN(CCN(C)C)CC2)c(OS(=O)(=O)F)c1,GTMOPDQTQHLFEM-UHFFFAOYSA-N
26122
+ rxn:2:101511:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1CC3CCC(C1)N3Cc1ccccc1)C2,NBYNJWVRNHPFND-UHFFFAOYSA-M
26123
+ rxn:2:101597:130197,CCC(NC1CC(C)(COC)Oc2ccccc21)c1ccc(N2CCN(C)CC2)nc1C,PUZKOQANTGLPDX-UHFFFAOYSA-N
26124
+ rxn:2:102308:126170,CCCC(C(Nc1cnc(N2CCCC(C)C2)c(OCC)c1)c1ccc2c(c1)CCC2)N1CCCC1,PSRKOVYTVYNUMY-UHFFFAOYSA-N
26125
+ rxn:2:102308:171582,CCCC(C(Nc1cnc(N2CCCC(C)C2)c(OCC)c1)c1ccc2c(c1)CCCC2)N1CCCC1,XCJPMODGXJYVTR-UHFFFAOYSA-N
26126
+ rxn:2:102540:140699,CCCC(CS(=O)(=O)F)NCC(C)SC1C2CC3CC(C2)CC1C3,BONPUMYGGDWVCT-UHFFFAOYSA-N
26127
+ rxn:2:102544:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3n[nH]cc3N(C)CC(C)(C)C)C2(F)F)c1,RHJMJFZGPFWKHC-UHFFFAOYSA-N
26128
+ rxn:2:102544:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3n[nH]cc3N(C)CC(C)(C)C)C2(F)F)n1,RJNSBGBUHROZDN-UHFFFAOYSA-N
26129
+ rxn:2:102573:121027,CC(C)(C)C(NC1CCc2cccc(O[Si](C)(C)C(C)(C)C)c21)c1n[nH]c(C2CCCC2)n1,FETHAUZVKAXDSS-UHFFFAOYSA-N
26130
+ rxn:2:102626:112215,CCOC1CCN(c2ccc(CNC(c3ccc4c(c3)CCC4)C(CC)N3CCCC3)cn2)CC1,RITJAFOLWFTRFK-UHFFFAOYSA-N
26131
+ rxn:2:102626:115389,CCOC1CCN(c2ccc(CNC(c3ccc4c(c3)CCCC4)C(CC)N3CCCC3)cn2)CC1,ZFPNRAIVTSURRM-UHFFFAOYSA-N
26132
+ rxn:2:103496:166901,CS(=O)(=O)c1ccc(-c2ccc3c(c2)C(NC24CC5CC(C2)C2(N=N2)C(C5)C4)CO3)cc1,SGUTWQWDFHOANY-UHFFFAOYSA-N
26133
+ rxn:2:104664:126170,CCCC(C(Nc1cc(CN2CCN(CC)CC2)[nH]n1)c1ccc2c(c1)CCC2)N1CCCC1,QVDOILFRVHJQHU-UHFFFAOYSA-N
26134
+ rxn:2:104874:126600,CSCC(NC(C)c1ccc(C)cc1OS(=O)(=O)F)C1CCCN(C)C1,ZDBNBKLSOZMECV-UHFFFAOYSA-N
26135
+ rxn:2:104928:143973,COc1ccc(C)cc1C1(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCCC1,PDAGLYICDXIFTK-UHFFFAOYSA-N
26136
+ rxn:2:105364:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CC4(C)C1CCC43C)C2,XCSPEMORDKLRBU-UHFFFAOYSA-M
26137
+ rxn:2:105378:125295,CCN1CC2CC(C)(C)CC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,KLZRZIDBQHTISH-UHFFFAOYSA-N
26138
+ rxn:2:105790:122080,CC(CCS(=O)(=O)F)NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C,OXSCCMZJDNBBFF-UHFFFAOYSA-N
26139
+ rxn:2:105790:134989,CC(NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C)c1cccc(S(=O)(=O)F)c1,HAFBHYPGOWXMMW-UHFFFAOYSA-N
26140
+ rxn:2:105977:139138,CC1CCC(OCc2ccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,UXSRJZDYCVSDQG-UHFFFAOYSA-M
26141
+ rxn:2:106131:143973,CN1CCN(C(CCNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c2ccccn2)CC1,FPSHSYCOIIEQHQ-UHFFFAOYSA-N
26142
+ rxn:2:106172:171582,CCCC(C(Nc1cnccc1OCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,HWIVBERAZSIDDB-UHFFFAOYSA-N
26143
+ rxn:2:106713:139138,CC1CCN(CC(C)(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c2ccccc2)CC1,NXRXTBRDUBYQKW-UHFFFAOYSA-M
26144
+ rxn:2:106845:153662,CCc1ccc(C(Nc2cn(C)c(=O)n(CCOC)c2=O)C23CN4CN(CN(C4)C2)C3)cc1,QTUICVJAEWKAAZ-UHFFFAOYSA-N
26145
+ rxn:2:107693:171582,CCCC(C(N[C@@H]1COc2cccc(OC)c2C1)c1ccc2c(c1)CCCC2)N1CCCC1,HKYCKAILYMUSCI-VSRGENKSSA-N
26146
+ rxn:2:107906:109848,CCCC(C)(CNC(c1ccccc1)C(F)N1CN(F)C=N1)N1CCCN(C)CC1,IZVQGYQLWWHKSC-UHFFFAOYSA-N
26147
+ rxn:2:107964:126170,CCCC(C(Nc1ccc(OC2CCN(C(C)C)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,ACWZVUJLMDAVCO-UHFFFAOYSA-N
26148
+ rxn:2:107964:171582,CCCC(C(Nc1ccc(OC2CCN(C(C)C)CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,OXHKQOAWWAMBJX-UHFFFAOYSA-N
26149
+ rxn:2:108479:159007,CCOCc1cccc(-c2ccc(C(C)NCc3nccc(N4CCC(N(C)C)CC4)n3)c3c2OCO3)c1,HHIASDLBZBBUEE-UHFFFAOYSA-N
26150
+ rxn:2:109467:91416,CN(C1CC1)C1(CNC2CC3CCC2(CS(=O)(=O)F)C3(C)C)CN2CCC1CC2,XZELLRZWQDPRCP-UHFFFAOYSA-N
26151
+ rxn:2:109579:156200,CCCCC1CCC(c2cc(NC(C)c3cc4c(cc3-c3cccnc3OCC)OCCO4)[nH]n2)CC1,GTJZVLNUOKUTNB-UHFFFAOYSA-N
26152
+ rxn:2:109603:126170,CCCC(C(Nc1ccc(N2CCCC(C)C2)nc1OCC)c1ccc2c(c1)CCC2)N1CCCC1,IOVDZRDFUBBFAF-UHFFFAOYSA-N
26153
+ rxn:2:109603:171582,CCCC(C(Nc1ccc(N2CCCC(C)C2)nc1OCC)c1ccc2c(c1)CCCC2)N1CCCC1,PMDWLSASGPDANR-UHFFFAOYSA-N
26154
+ rxn:2:109712:155396,CC(=O)c1ccc(C2C(CSC(C)NC(C)(C)c3nc(C4CCCC4)nn3C)C2(F)F)nc1,QNHRHZCGHUFFOA-UHFFFAOYSA-N
26155
+ rxn:2:109813:140449,CC(CC(c1ccncc1)N1CCOCC1)Nc1ccccc1OCCN1CCC(C)(C)CC1,FTQXQNIFWCJOBJ-UHFFFAOYSA-N
26156
+ rxn:2:111117:171582,CCCC(C(Nc1cccnc1OC1COC1)c1ccc2c(c1)CCCC2)N1CCCC1,OYFAVEHFRGADQF-UHFFFAOYSA-N
26157
+ rxn:2:111602:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1C3CN4CCN(C3)CC1(c1ccccc1)C4)C2,ZSEJBLKNAAXLGE-UHFFFAOYSA-M
26158
+ rxn:2:112052:126170,CCCC(C(NC(C)(C)COc1ncccc1C)c1ccc2c(c1)CCC2)N1CCCC1,KKCOLTXUJHJJJJ-UHFFFAOYSA-N
26159
+ rxn:2:112215:124164,CCC(C(Nc1ccc(CN2CC3(CN(CC)C3)C2)cn1)c1ccc2c(c1)CCC2)N1CCCC1,BHUDDLQOSIBFMJ-UHFFFAOYSA-N
26160
+ rxn:2:113144:125295,O=S(=O)(F)CC1CC(NOC23CC4CC(CC(C4)C2)C3)C1,BLCDZWOABCTWKQ-UHFFFAOYSA-N
26161
+ rxn:2:113250:135747,CC(CCCCN1CCCSCC1)Nc1ccc(OCC2CC(F)C2)nc1,NYQUPSKYWQCZNX-UHFFFAOYSA-N
26162
+ rxn:2:113516:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC(COC1CCC1)C12CC3CC(CC(C3)C1)C2,UPHHKUDSXZPCFQ-UHFFFAOYSA-M
26163
+ rxn:2:113644:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3c(C)n(C)n(C4CCCCC4)c3=O)C2(F)F)c1,GJVJETFLIAXGQT-UHFFFAOYSA-N
26164
+ rxn:2:114156:120015,CCCC(C#CN1CCN(C)CC1)Nc1cccnc1OCCC(C)C,UMAFHTUSHACCRX-UHFFFAOYSA-N
26165
+ rxn:2:114156:153087,CCc1c(C)[nH]c2c1C(Nc1cccnc1OCCC(C)C)C(CN1CCOCC1)CC2,RSIGKZNUZSOFMK-UHFFFAOYSA-N
26166
+ rxn:2:114642:121533,CCS(=O)(=O)OC[C@H]1CCC(NC2C3CN(C)CC2CN(Cc2ccccn2)C3)C1,IJGLWSOUPSVHLP-WEWRAIFCSA-N
26167
+ rxn:2:114875:139843,CCC(Nc1nccnc1OCCN1CCCCC1)c1ccc2c(c1)CCCN2C(C)C,OKYVWXKMHZZJET-UHFFFAOYSA-N
26168
+ rxn:2:115637:155181,CCCC1CCN(c2ccc(NC(CC)c3ccc(-c4cnc(N5CCCCC5)nc4)cc3)c(OC)n2)CC1,HLMBRQFFMDSZMS-UHFFFAOYSA-N
26169
+ rxn:2:115952:71423,COCC1(C)CCN(c2ccc(NC(C)CCCN3CCN(C4CC4)CC3)cn2)CC1,VMBUKPYKOOJVLL-UHFFFAOYSA-N
26170
+ rxn:2:115952:96572,COCC1(C)CCN(c2ccc(NC(C)CCCCN3CCSCC3)cn2)CC1,HESIPTURKJJZLD-UHFFFAOYSA-N
26171
+ rxn:2:117225:129213,CCCC(Nc1ccc(OCCN2CCOCC2)nc1)C1CCCN(C(C)C)C1,UGFGLWXCECFJDW-UHFFFAOYSA-N
26172
+ rxn:2:117225:141775,CCC(Nc1ccc(OCCN2CCOCC2)nc1)c1ccc(N2CCN(C(C)C)CC2)nc1C,FGURIQRLLMOSMH-UHFFFAOYSA-N
26173
+ rxn:2:117225:70037,CCC(Nc1ccc(OCCN2CCOCC2)nc1)C1CCCN(C(C)C)C1,HYVUKIGQHZOMLF-UHFFFAOYSA-N
26174
+ rxn:2:117225:87087,CCC(Nc1ccc(OCCN2CCOCC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,BLAYSVGALYSIPN-UHFFFAOYSA-N
26175
+ rxn:2:117273:136680,COS(=O)(=O)c1cccc(NC(C)SCC23CC(=O)CC(CN(C)C2)C3(F)F)c1,XZAVUNMUFWVOHF-UHFFFAOYSA-N
26176
+ rxn:2:117288:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13CCC(CN(C4CC4)C1)C3(F)F)C2,UISZGICMIPQNOD-UHFFFAOYSA-M
26177
+ rxn:2:117825:122030,CCOCC1CCCN(c2ncccc2NC(c2ccn(CC3CCC3)n2)C(C)C)C1,CYIXRGNOYTUTAP-UHFFFAOYSA-N
26178
+ rxn:2:117825:79723,CCOCC1CCCN(c2ncccc2NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)C1,HFUXPUTVORWVQX-UHFFFAOYSA-N
26179
+ rxn:2:117992:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CC1c1ccc(C3CCCC3)cc1)C2,UHMOHFVJXHKJCV-UHFFFAOYSA-M
26180
+ rxn:2:118111:152258,CCC(NCC1(OC)CCN(CC)CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,RDESQLNAJAGZLU-UHFFFAOYSA-N
26181
+ rxn:2:118625:126170,CCCC(C(Nc1ccc(N2CCCC(OCC)C2)cn1)c1ccc2c(c1)CCC2)N1CCCC1,KHYDTVBZUSJKCJ-UHFFFAOYSA-N
26182
+ rxn:2:118625:171582,CCCC(C(Nc1ccc(N2CCCC(OCC)C2)cn1)c1ccc2c(c1)CCCC2)N1CCCC1,XFTHXOVIYVWTBP-UHFFFAOYSA-N
26183
+ rxn:2:118870:157338,CC(=O)c1ccc(C2C(CSC(C)Nc3c(-c4nnc5n4CCCCC5)nn(C)c3C)C2(F)F)s1,YXJXJRXVUCARKH-UHFFFAOYSA-N
26184
+ rxn:2:119577:126170,CCCC(C(Nc1cncnc1OC1CCN(CC)C1)c1ccc2c(c1)CCC2)N1CCCC1,KGBIZHAXYZDCIE-UHFFFAOYSA-N
26185
+ rxn:2:119577:171582,CCCC(C(Nc1cncnc1OC1CCN(CC)C1)c1ccc2c(c1)CCCC2)N1CCCC1,REALFRBPPVNORG-UHFFFAOYSA-N
26186
+ rxn:2:119810:155181,CCC(NCCOC1CCN(CC)CC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,KDBVXHSDGAEMBS-UHFFFAOYSA-N
26187
+ rxn:2:120286:126170,CCCC(C(Nc1cc2c(cc1OC)OCCO2)c1ccc2c(c1)CCC2)N1CCCC1,IWIUWAOMEKAMCC-UHFFFAOYSA-N
26188
+ rxn:2:120575:126170,CCCC(C(Nc1cncc(OCC2CCCO2)c1)c1ccc2c(c1)CCC2)N1CCCC1,VOGQLTWXUQOGJQ-UHFFFAOYSA-N
26189
+ rxn:2:120603:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)(c1ccccc1)N1CCCCC1,ASZNUMSCUIJSAC-UHFFFAOYSA-M
26190
+ rxn:2:120989:91508,CN1CCC(c2cc(NC(CC3CC3)c3ccc(O[Si](C)(C)C(C)(C)C)cc3)n[nH]2)CC1,IBSZRKBVUPGGLH-UHFFFAOYSA-N
26191
+ rxn:2:121533:143784,CCC(NC1C2CN(C)CC1CN(Cc1ccccn1)C2)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,AJRBTJOAJBZYTN-UHFFFAOYSA-N
26192
+ rxn:2:121533:164467,CCC(NC1C2CN(C)CC1CN(Cc1ccccn1)C2)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,ITLVQMJBDNJKKL-UHFFFAOYSA-N
26193
+ rxn:2:121756:139138,CC1CCN(CC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c2ccccc2)CC1,KTZNEZHVWIUYMO-UHFFFAOYSA-M
26194
+ rxn:2:122627:140794,CCS(=O)(=O)CC1(CNC2CC3CN(C)CC(C2)C3(F)F)CC1,KMTFPIRVHWMOQA-UHFFFAOYSA-N
26195
+ rxn:2:123036:120275,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(CN2CCSCC2)cc1)C1CC1,WLQASSNRVNYSIW-UHFFFAOYSA-N
26196
+ rxn:2:123036:122663,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(CN2CCCCC2)cc1)C1CC1,MAMGYNRDXSNKKA-UHFFFAOYSA-N
26197
+ rxn:2:123036:160581,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1cccnc1-c1cccc(CN2CCCCC2)c1,HWOYLZZZQXDSIO-UHFFFAOYSA-N
26198
+ rxn:2:123036:75568,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc2c(c1)OCCO2)C(C)CN(C)C,JLBBKLFYHKWZQM-UHFFFAOYSA-N
26199
+ rxn:2:123287:84015,CCSC1C2CCCC1CC(CNC1CC3CC[C@@]1(CS(=O)(=O)[O-])C3(C)C)C2,MBSQPUWIPKNRFD-JHIOLDQKSA-M
26200
+ rxn:2:123990:126600,Cc1ccc(C(C)NCCO[Si]23OCCN(CCO2)CCO3)c(OS(=O)(=O)F)c1,GLZAIKRNBWFPEC-UHFFFAOYSA-N
26201
+ rxn:2:123990:149251,O=C(c1ccccc1)c1ccc2c(c1)=CC(NCCO[Si]13OCCN(CCO1)CCO3)N=2,SGEXFTMYAMXKAO-UHFFFAOYSA-N
26202
+ rxn:2:124164:126170,CCCC(C(Nc1ccc(CN2CC3(CN(CC)C3)C2)cn1)c1ccc2c(c1)CCC2)N1CCCC1,SKKSOVRZACRKJX-UHFFFAOYSA-N
26203
+ rxn:2:124164:67403,CCC(Nc1ccc(CN2CC3(CN(CC)C3)C2)cn1)c1cnc(N2CCCC2)cc1C,ZXZBXNNLZFKEDY-UHFFFAOYSA-N
26204
+ rxn:2:124684:130197,CCC(Nc1ccc(OCC2(CC)CCC2)nc1)c1ccc(N2CCN(C)CC2)nc1C,UKUIDKPKQSYBPQ-UHFFFAOYSA-N
26205
+ rxn:2:124740:139138,COc1ccc(C2CCN(CCNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)C2)cc1,PESFSIDMZPJIHU-UHFFFAOYSA-M
26206
+ rxn:2:125295:127436,O=S(=O)(F)CC1CC(NCCSCC2C3CC4CC(C3)CC2C4)C1,ZKWXYYGUDVQJKV-UHFFFAOYSA-N
26207
+ rxn:2:126293:149645,COCc1cccc(-c2ccc(C(C)Nc3cncnc3OC3CCCC3N(C)C3CC3)c3c2OCO3)c1,YYOWWILNXNBVHP-UHFFFAOYSA-N
26208
+ rxn:2:126401:139138,Cc1cccc(C(CN(C)C2CCCCC2)NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c1,BNKLWRHBAHUAAL-UHFFFAOYSA-M
26209
+ rxn:2:126906:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCC13CC4(C)C1CCC43C)C2,SWFJHXDWOIGJPG-UHFFFAOYSA-M
26210
+ rxn:2:126931:140699,CCCC(CS(=O)(=O)F)NCC(C)(C)C1C2CC3CC1CC(C)(C3)C2,JXGPSZMZXDWEHR-UHFFFAOYSA-N
26211
+ rxn:2:127204:153662,CCc1ccc(C(NCCCOS(C)(=O)=O)C23CN4CN(CN(C4)C2)C3)cc1,GCBFPRAOQOHQMB-UHFFFAOYSA-N
26212
+ rxn:2:128783:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1c3ccccc3CCC1N1CCCC1)C2,WHOLUGYZSIOSNK-UHFFFAOYSA-M
26213
+ rxn:2:128975:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13COCC(CN(C4CC4)C1)C3(F)F)C2,BJZGEDHAMCRCQM-UHFFFAOYSA-M
26214
+ rxn:2:129423:126170,CCCC(C(Nc1cnc(N2CCOCC2)c(OCC)c1)c1ccc2c(c1)CCC2)N1CCCC1,QFYOPROAPLRUFN-UHFFFAOYSA-N
26215
+ rxn:2:129423:73038,CCOc1cc(NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)cnc1N1CCOCC1,BUSQJHAECWGTPN-UHFFFAOYSA-N
26216
+ rxn:2:130033:87087,CCC(Nc1ccc(OCCN2CCOCC2)cn1)c1cnc(N2CCN(C(C)C)CC2)cc1C,AVOZVHHVPMRMLB-UHFFFAOYSA-N
26217
+ rxn:2:130059:137294,CCOCc1cc(N2CCC(NC(CC)c3ccc(N4CCC(F)CC4)cc3)CC2)ncn1,ZTUOVKJBHHMPNW-UHFFFAOYSA-N
26218
+ rxn:2:130202:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CC2CC3CC(C2)CC1C3,TVEUPXMFUZAIHJ-UHFFFAOYSA-M
26219
+ rxn:2:130348:139138,CC12CN3CN(C1)CC(c1cccs1)(C3)C2NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,QZESRYQJAMALAO-UHFFFAOYSA-M
26220
+ rxn:2:132463:136378,CN(Cc1ccoc1)C1(CNC2CCN(CCOS(C)(=O)=O)CC2)CN2CCC1CC2,IWQKVBPAYWJUCJ-UHFFFAOYSA-N
26221
+ rxn:2:133724:125295,CCC1CC2CN(C)CC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,DIKOCXVFLANCAD-UHFFFAOYSA-N
26222
+ rxn:2:134044:139138,CC1CCN(Cc2cccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)c2)CC1,BYRBQKULRJMLAB-UHFFFAOYSA-M
26223
+ rxn:2:134275:74747,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCCOC13CC4CC(CC(C4)C1)C3)C2,YCQNRIYEZLDWLB-SZNSYFAASA-M
26224
+ rxn:2:134302:79723,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)C1,JTOCGPUZWDDBBV-UHFFFAOYSA-N
26225
+ rxn:2:134675:139138,CC1(C)C2CCC(CCNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)C1C2,MQHLUFWIOMMGPV-UHFFFAOYSA-M
26226
+ rxn:2:135747:171582,CCCC(C(Nc1ccc(OCC2CC(F)C2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,KGXFZWUSSSJFOU-UHFFFAOYSA-N
26227
+ rxn:2:135789:67412,CCC(C)(CC1C2CC3CC(C2)CC1C3)NC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C,VHPMNQCZMQVVEZ-MSYVWFCYSA-N
26228
+ rxn:2:136308:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(c3ccco3)CS(=O)(=O)C1)C2,MPIVGEXTMXAEBI-UHFFFAOYSA-M
26229
+ rxn:2:136378:134771,COc1ccc(NC2CCN(CCOS(C)(=O)=O)CC2)cc1S(=O)(=O)F,APZFXDPOEGALJO-UHFFFAOYSA-N
26230
+ rxn:2:136805:86155,CCOCc1cc(N2CCC(NCC3C(c4cnc(OC)nc4OC)C3(F)F)CC2)ncn1,BCTIMVPYGXHEFJ-UHFFFAOYSA-N
26231
+ rxn:2:137160:143784,CCC(Nc1cc(OC2C3CC4CC(C3)CC2C4)n[nH]1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,AUNXXCJQOBFQRF-UHFFFAOYSA-N
26232
+ rxn:2:137191:73038,CCC(Nc1ccc(SCCN2CCOCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,PVEBUGWIJSFBDP-UHFFFAOYSA-N
26233
+ rxn:2:137737:171582,CCCC(C(Nc1ccc(OCC2CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,DVYZJJJAVSCYTI-UHFFFAOYSA-N
26234
+ rxn:2:138115:118444,CCS(=O)(=O)OC[C@@H]1CCC(NC(C)CC23CC4CC(C2)CC(N(C)C)(C4)C3)C1,RQYOEWGLWHINGK-KIOWUQBGSA-N
26235
+ rxn:2:138258:126170,CCCC(C(Nc1ccc2c(n1)CCN(CC)C2)c1ccc2c(c1)CCC2)N1CCCC1,ITGQVBRTWSUCLQ-UHFFFAOYSA-N
26236
+ rxn:2:138258:171582,CCCC(C(Nc1ccc2c(n1)CCN(CC)C2)c1ccc2c(c1)CCCC2)N1CCCC1,QLYAMYIOASMLDM-UHFFFAOYSA-N
26237
+ rxn:2:138443:153662,CCc1ccc(C(Nc2cn(C)c(=O)n(CCCOC)c2=O)C23CN4CN(CN(C4)C2)C3)cc1,BYHYQWGTOWIYKX-UHFFFAOYSA-N
26238
+ rxn:2:138575:126170,CCCC(C(Nc1cncnc1OC1CCCN(CC)C1)c1ccc2c(c1)CCC2)N1CCCC1,USUBVAFRQDLCPQ-UHFFFAOYSA-N
26239
+ rxn:2:138759:170767,CCN1CCC(COc2ncc(NC(c3ccccn3)c3cc(C(C)C)cc4c3OCCCC4)cn2)CC1,JXXDMTSYSRKLTJ-UHFFFAOYSA-N
26240
+ rxn:2:139310:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1CC(OS(C)(=O)=O)C1)C2,JKYQCJHDFBJYSR-UHFFFAOYSA-M
26241
+ rxn:2:139479:88564,CC(C)(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1CCC(F)(F)CC1,CTJTWYGDVNECBR-UHFFFAOYSA-M
26242
+ rxn:2:141251:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCN1CC3C4CCC(O4)C3C1)C2,ZWKNBLVHQQBYAC-UHFFFAOYSA-M
26243
+ rxn:2:141664:139138,CC1CCN(Cc2ccc(C#CCNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,JZVZCZPZHQEQJL-UHFFFAOYSA-M
26244
+ rxn:2:141894:143973,COc1cccc(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)N2CCN(C)CC2)c1,MMIUGRKYCQVUPQ-UHFFFAOYSA-N
26245
+ rxn:2:141914:126600,Cc1ccc(C(C)Nc2cn(C34CC5CC(CC(C5)C3)C4)nc2C)c(OS(=O)(=O)F)c1,BBFLHDQCZKVRPT-UHFFFAOYSA-N
26246
+ rxn:2:142268:140360,CO[Si](CNC(C#CN1CCOCC1)c1ccc2c(c1)OCO2)(OC)OC,OQRYQQAEZDFPTR-UHFFFAOYSA-N
26247
+ rxn:2:142446:144460,CCC(NC1(c2nc(-c3nncn3CC)c[nH]2)CCC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,MMPQQJYVAMQIMO-UHFFFAOYSA-N
26248
+ rxn:2:148092:126170,CCCC(C(Nc1cn(-c2ccncc2OC)nc1C1CCC1)c1ccc2c(c1)CCC2)N1CCCC1,BPGPXDJTOVBGOA-UHFFFAOYSA-N
26249
+ rxn:2:148135:115389,CCOc1ccncc1-n1nc(C2CC2)cc1NC(c1ccc2c(c1)CCCC2)C(CC)N1CCCC1,YYSRJFDLFPHFNR-UHFFFAOYSA-N
26250
+ rxn:2:149892:131513,CC(CN1CCN(C)CC1)C(NC(C)(C)CN(C)Cc1ccc2oc(=O)[nH]c2c1)c1ccccc1,UPLNFOWYGZCPEB-UHFFFAOYSA-N
26251
+ rxn:2:150141:171582,CCCC(C(Nc1snnc1COc1ccc2c(c1)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,CBDKCFJVIIGVMG-UHFFFAOYSA-N
26252
+ rxn:2:153087:168382,CCc1c(C)[nH]c2c1C(Nc1cc(C(F)(F)c3nnn[nH]3)ccc1OC)C(CN1CCOCC1)CC2,QXICCBYMGVNYSM-UHFFFAOYSA-N
26253
+ rxn:2:153662:156863,CCc1ccc(C(NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C23CN4CN(CN(C4)C2)C3)cc1,LPGIMLRECZKNIC-UHFFFAOYSA-N
26254
+ rxn:2:154757:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3c(C)c(C4(C)CC4)nn3-c3cnccc3C)C2(F)F)nc1,KGKXOEPENGDGCR-UHFFFAOYSA-N
26255
+ rxn:2:156863:92442,COc1ccc(C(NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C(C)C)cc1N1CCOCC1,SZOOLHUBOGBBOV-UHFFFAOYSA-N
26256
+ rxn:2:157582:126170,CCCC(C(Nc1ccc2[nH]c3c(c2c1)CN(CC)CC3)c1ccc2c(c1)CCC2)N1CCCC1,IOYCJBYRRNPHRC-UHFFFAOYSA-N
26257
+ rxn:2:157582:171582,CCCC(C(Nc1ccc2[nH]c3c(c2c1)CN(CC)CC3)c1ccc2c(c1)CCCC2)N1CCCC1,QRKXPLZURVCOPZ-UHFFFAOYSA-N
26258
+ rxn:2:66440:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1CC2CCCC(C1)C2(F)F,FQVUDXGHJDGOLI-UHFFFAOYSA-M
26259
+ rxn:2:66620:74747,CC(C)(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)SC1C2CC3CC(C2)CC1C3,JSVPUKCVXDYHDU-WOGYEZGQSA-M
26260
+ rxn:2:66620:85115,CCS(=O)(=O)OCC1CCC(NCC(C)(C)SC2C3CC4CC(C3)CC2C4)C1,AZYORNADWVZKGQ-UHFFFAOYSA-N
26261
+ rxn:2:66678:112215,CCC(C(Nc1nccnc1OCCN1CCOCC1)c1ccc2c(c1)CCC2)N1CCCC1,DRLNCVFCZZMESF-UHFFFAOYSA-N
26262
+ rxn:2:66678:79723,CCC(Nc1nccnc1OCCN1CCOCC1)c1ccc(N2CCN(CC)CC2)nc1C,ARWJDIUOXYFQPO-UHFFFAOYSA-N
26263
+ rxn:2:66678:94031,CCC(Nc1nccnc1OCCN1CCOCC1)c1ccc(OC(=O)C(C)(C)C)cc1,AGKLXWQRHXHZLB-UHFFFAOYSA-N
26264
+ rxn:2:66724:126170,CCCC(C(Nc1cnccc1OC1CCN(C(C)C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,XIZGFYYNBUFECE-UHFFFAOYSA-N
26265
+ rxn:2:66724:171582,CCCC(C(Nc1cnccc1OC1CCN(C(C)C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,WVTMAALKHUZZJF-UHFFFAOYSA-N
26266
+ rxn:2:66994:115389,CCOCC1CCCCN1c1ncccc1NC(c1ccc2c(c1)CCCC2)C(CC)N1CCCC1,ODUUCHAHUZSMPI-UHFFFAOYSA-N
26267
+ rxn:2:67072:73038,CCC(Nc1cnn(CCOC2CCC2)c1)c1cnc(N2CCN(CC)CC2)cc1C,LQWIPAJBPGOUMD-UHFFFAOYSA-N
26268
+ rxn:2:67388:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc(C2CCCN(C)C2)cc1,LHDSTEIICPWJGI-UHFFFAOYSA-M
26269
+ rxn:2:67616:126600,Cc1ccc(C(C)NCC2(N3CCCC3)CC3CCC(C2)N3C)c(OS(=O)(=O)F)c1,KPQHKZPIIMQNHQ-UHFFFAOYSA-N
26270
+ rxn:2:68051:168480,CO[C@@H]1CC2CC(Nc3ccc(S(=O)(=O)N=S(C)(C)=O)cc3)CC1N2C,IZYVFYHVAFNXJR-UJCFSERGSA-N
26271
+ rxn:2:68310:117362,CCOS(=O)(=O)C[C@]12CCC(CC1NCC(c1ccsc1)N1CCN(C)CC1)C2(C)C,OPTQNTNXPVZHMY-VLTFCKIESA-N
26272
+ rxn:2:68813:141610,CON(C)C(CNC(C)c1ccc(S(=O)(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2,BGDICRKDIQVLAO-UHFFFAOYSA-M
26273
+ rxn:2:68813:85115,CCS(=O)(=O)OCC1CCC(NCC(N(C)OC)C23CC4CC(CC(C4)C2)C3)C1,CPRWOAXLFUIVOZ-UHFFFAOYSA-N
26274
+ rxn:2:68863:149822,CCC(NC1(c2ncnn2C)CCN(C)CC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,DWOFYTQFMBXVOY-UHFFFAOYSA-N
26275
+ rxn:2:69000:149822,CCC(NC(C)(c1nnn[nH]1)C1CCCC1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,KIDQRABOTJVFIZ-UHFFFAOYSA-N
26276
+ rxn:2:69438:114262,COCS(=O)(=O)c1ccc(C(C)NC23CC(N4CCN(C)CC4)(C2)C3)cc1,VJDBMRXAUAEMCG-UHFFFAOYSA-N
26277
+ rxn:2:69465:112215,CCC(C(Nc1cncnc1OC1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,CADRBXQTHSTUNW-UHFFFAOYSA-N
26278
+ rxn:2:69465:126170,CCCC(C(Nc1cncnc1OC1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,MESGNANEBMNILI-UHFFFAOYSA-N
26279
+ rxn:2:69465:171582,CCCC(C(Nc1cncnc1OC1CCN(CC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,BXDFQIROALOWOF-UHFFFAOYSA-N
26280
+ rxn:2:69566:116885,CCOS(=O)(=O)C[C@@]12CC[C@@H](CC1NCC1(N(C)C)CN3CCC1CC3)C2(C)C,HRRSVIHYNRATEP-UMDHHFKGSA-N
26281
+ rxn:2:69566:117362,CCOS(=O)(=O)C[C@]12CCC(CC1NCC1(N(C)C)CN3CCC1CC3)C2(C)C,HRRSVIHYNRATEP-QXXBNALYSA-N
26282
+ rxn:2:69566:122080,CC(CCS(=O)(=O)F)NCC1(N(C)C)CN2CCC1CC2,HVECQLIKXFVXCP-UHFFFAOYSA-N
26283
+ rxn:2:69566:166005,CN(C)C1(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)CN2CCC1CC2,KHGWVNWHUJWYGK-UHFFFAOYSA-N
26284
+ rxn:2:69566:91416,CN(C)C1(CNC2CC3CCC2(CS(=O)(=O)F)C3(C)C)CN2CCC1CC2,GIGKDAWDLILYAT-UHFFFAOYSA-N
26285
+ rxn:2:70313:74747,CC1(C)C2CCC1(C)C(CCNC1C[C@H]3CC[C@]1(CS(=O)(=O)[O-])C3(C)C)C2,JENDSVYCPRZRNJ-GFFVPOTJSA-M
26286
+ rxn:2:70339:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@@H]1CC[C@H](CS(=O)(=O)c3ccccc3)C1)C2,LJVOINJUEZPLRO-FXEZRIMKSA-M
26287
+ rxn:2:70445:139138,COc1ccccc1C1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CCC1,ULBWLUMOSVQIAM-UHFFFAOYSA-M
26288
+ rxn:2:70683:104764,COCc1cc(OS(=O)(=O)F)ccc1NC1CC2CCC(C1)N2CCN1CCCCC1,NJOFSTWCJORECW-UHFFFAOYSA-N
26289
+ rxn:2:70683:153662,CCc1ccc(C(Nc2ccc(OS(=O)(=O)F)cc2COC)C23CN4CN(CN(C4)C2)C3)cc1,JXHVQMQRTWDIBF-UHFFFAOYSA-N
26290
+ rxn:2:70685:127436,O=S(=O)(F)C1CC(NCCSCC2C3CC4CC(C3)CC2C4)C1,VNAJTJPQCCKBCG-UHFFFAOYSA-N
26291
+ rxn:2:71442:105790,CC(NCC(C)(C1C2CC3CC(C2)CC1C3)N(C)C)c1ccc(S(=O)(=O)F)cc1,MIGQCODBVSVMMN-UHFFFAOYSA-N
26292
+ rxn:2:71510:96512,O=S(=O)(CCNC1CC2C(C1)C1CN(C3CC3)CC2C1(F)F)c1cccs1,FWTMFHJOHIQQID-UHFFFAOYSA-N
26293
+ rxn:2:71576:155396,CC(=O)c1ccc(C2C(CSC(C)NCC(C)(C)N(C)C3CCC3)C2(F)F)nc1,GJBKEROWOIDMKA-UHFFFAOYSA-N
26294
+ rxn:2:71594:139138,CN(C)C1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CCN(Cc2ccccc2)CC1,SVNOOMXNLXSDSD-UHFFFAOYSA-M
26295
+ rxn:2:72145:139138,CC1CCN(Cc2ccccc2CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,WSRCEGQIPWBHNV-UHFFFAOYSA-M
26296
+ rxn:2:72284:126170,CCCC(C(Nc1cccnc1OCC1(C)CCC1)c1ccc2c(c1)CCC2)N1CCCC1,MEZOXWLBFWOFGE-UHFFFAOYSA-N
26297
+ rxn:2:72284:79723,CCC(Nc1cccnc1OCC1(C)CCC1)c1ccc(N2CCN(CC)CC2)nc1C,WMVZZKBMWWUMFZ-UHFFFAOYSA-N
26298
+ rxn:2:73038:124684,CCC(Nc1ccc(OCC2(CC)CCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,BXLVUCKKUWGVPN-UHFFFAOYSA-N
26299
+ rxn:2:73038:72284,CCC(Nc1cccnc1OCC1(C)CCC1)c1cnc(N2CCN(CC)CC2)cc1C,ZDHIFQNLYWLDEA-UHFFFAOYSA-N
26300
+ rxn:2:73080:136378,COc1ccc(NC2CCN(CCOS(C)(=O)=O)CC2)cc1OS(=O)(=O)F,SAAZBJBYKRHKHV-UHFFFAOYSA-N
26301
+ rxn:2:73225:99502,CN1CC2CC(C)(C)CC(CNC3CC(CS(=O)(=O)c4ccccc4)C3)(C1)C2(F)F,VYTKACONILZOOL-UHFFFAOYSA-N
26302
+ rxn:2:73306:71115,CN(C)C1CCC(NCC2CC(CC(C)(C)C)C2)CC1,OQKGTQGBEBZLBG-UHFFFAOYSA-N
26303
+ rxn:2:74571:115389,CCC(C(Nc1ccccc1OCCN1CCCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,SNAHNPXBGZIVJC-UHFFFAOYSA-N
26304
+ rxn:2:74747:113144,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NOC13CC4CC(CC(C4)C1)C3)C2,YQWAXKQLYLFSNN-JJVWSAESSA-M
26305
+ rxn:2:74747:120312,COCC(ONC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,VYYHFYSLFWJRDO-MSOOHXCUSA-M
26306
+ rxn:2:74747:139310,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1CC(OS(C)(=O)=O)C1)C2,JKYQCJHDFBJYSR-JVVFDMMPSA-M
26307
+ rxn:2:75130:141711,CCOCC1CCN(c2ncccc2NC(CC)c2cnc(N3CCN(CC)CC3)c(C)c2)CC1,LHVKIXKKSPRALM-UHFFFAOYSA-N
26308
+ rxn:2:75173:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NC1(c3cccc(C4CCOCOC4)c3)CC1)C2,YOCDJLGYJCOZCJ-IDDCVJCYSA-M
26309
+ rxn:2:75921:73038,CCC(NCC(C)(C)CSc1ccc2c(c1)CCCC2)c1cnc(N2CCN(CC)CC2)cc1C,WUQYKZNBIZUPMM-UHFFFAOYSA-N
26310
+ rxn:2:76040:117066,COC1C2CC1CN(CCCNC(C)c1ccc(OS(=O)(=O)[O-])cc1)C2,WIMPCXJGQYZKNU-UHFFFAOYSA-M
26311
+ rxn:2:76214:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cnc(N4CCCCC4)nc3N(C)C)C2(F)F)c1,NRKVTUDQPZFAKH-UHFFFAOYSA-N
26312
+ rxn:2:76295:88564,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C12CC3CC(CC(C)(C3)C1)C2,FQMOVLACRRBIBN-UHFFFAOYSA-M
26313
+ rxn:2:76519:142451,CC(=O)c1cncc(C2C(CCSC(C)NC3(C)CN(C)CCN(C)C3)C2(F)F)c1,KTOCFAUJDYSKOE-UHFFFAOYSA-N
26314
+ rxn:2:76729:83490,CCCC(C(Nc1cnc(N2CCCC2)cc1OC)c1ccc2c(c1)CCO2)N1CCCC1,REOHQEOQYMLKSN-UHFFFAOYSA-N
26315
+ rxn:2:77038:88556,CC[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](NC(c2ccc[nH]2)C2CCC2)C1,QUKLMMDUCXWWEA-MXRACREMSA-N
26316
+ rxn:2:77052:126170,CCCC(C(Nc1cnccc1OC1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,BCYAUMGHYPAQIE-UHFFFAOYSA-N
26317
+ rxn:2:77052:171582,CCCC(C(Nc1cnccc1OC1CCN(CC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,SZNMNECSIQCCDF-UHFFFAOYSA-N
26318
+ rxn:2:77438:148368,CC(CCCO[Si](C)(C)C(C)(C)C)Nc1cc(-c2cccc(N3CCOCC3)c2)[nH]n1,MCQBAEMNVQTFLD-UHFFFAOYSA-N
26319
+ rxn:2:77448:126170,CCCC(C(NC1(CC)CCN(c2ccncc2)C1)c1ccc2c(c1)CCC2)N1CCCC1,OYKJJYUZDRASEE-UHFFFAOYSA-N
26320
+ rxn:2:77613:80088,COCC(NC(CC1=NCCO1)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCC(C)(C)O2,GRNQWJXFZVIEAG-UHFFFAOYSA-N
26321
+ rxn:2:77649:100260,CCC(Nc1cccnc1OCC1CCN(C)C1)C(c1ccc2c(c1)OCCO2)C(C)C,GUWOOXPJASLUSE-UHFFFAOYSA-N
26322
+ rxn:2:77649:171582,CCCC(C(Nc1cccnc1OCC1CCN(C)C1)c1ccc2c(c1)CCCC2)N1CCCC1,OWDCNDBUIQNFQP-UHFFFAOYSA-N
26323
+ rxn:2:77662:140255,CCS(=O)(=O)C1C2CCC1CC(CNCC(OC)C1CC(F)(F)C1)C2,NDLMXSYKHPALGR-UHFFFAOYSA-N
26324
+ rxn:2:77662:83822,CCS(=O)(=O)C1C2CCCC1CC(CNCC(OC)C1CC(F)(F)C1)C2,LLHPMJZNHAZKEV-UHFFFAOYSA-N
26325
+ rxn:2:78219:114270,CCC(Nc1cccnc1OCCN1CCOCC1)C1CCN(CC(C)C)CC1,NURBTSOKTBCMCX-UHFFFAOYSA-N
26326
+ rxn:2:78456:126600,Cc1ccc(C(C)NCCN2C3CCC2CN(C)C3)c(OS(=O)(=O)F)c1,HANRDNRYPSONLR-UHFFFAOYSA-N
26327
+ rxn:2:78713:139138,COc1ccccc1CC1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)COC1,NNQWJXXTVPDTEG-UHFFFAOYSA-M
26328
+ rxn:2:79107:143385,COCc1cc(N2CCC(Nc3ccc(N4CCC(N(C)C)CC4)cc3C)CC2)nc(-c2ccncc2)n1,HWPBDMFJGQTNBP-UHFFFAOYSA-N
26329
+ rxn:2:79361:99521,C=C=CC(NCC12CC(S(C)(=O)=O)(CO1)C2)c1ccc(OC)c(OC)c1,SJCRJNMIYAFGLG-UHFFFAOYSA-N
26330
+ rxn:2:79673:139138,CN1CCC(C)(Oc2ccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,OKPNOFPJNSOBBK-UHFFFAOYSA-M
26331
+ rxn:2:79723:124684,CCC(Nc1ccc(OCC2(CC)CCC2)nc1)c1ccc(N2CCN(CC)CC2)nc1C,BWOJMYPOKACTKH-UHFFFAOYSA-N
26332
+ rxn:2:79723:92331,CCC(Nc1cc2c3c(c1)CCCN3CCC2)c1ccc(N2CCN(CC)CC2)nc1C,SGMWVJPVJSBKEK-UHFFFAOYSA-N
26333
+ rxn:2:79800:110690,CS(C)(=O)=NS(=O)(=O)CCNC1CC2C3CCC(C3)C12,QGWKCFGQLKARQT-UHFFFAOYSA-N
26334
+ rxn:2:79800:123400,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CC3CC(C2)CC1C3,VBLOPKSUPDTHJM-UHFFFAOYSA-N
26335
+ rxn:2:79906:126170,CCCC(C(Nc1ccc(OC2CCN(CC)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,MRYOETXKMAYWMB-UHFFFAOYSA-N
26336
+ rxn:2:79906:171582,CCCC(C(Nc1ccc(OC2CCN(CC)CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,CUIOCHXRDOMFBZ-UHFFFAOYSA-N
26337
+ rxn:2:79972:139138,CCC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc(C2CCN(C)CC2)cc1,NIWYXCIOGFFHTC-UHFFFAOYSA-M
26338
+ rxn:2:80030:112215,CCC(C(Nc1ccc(OCC2(CC)CCCC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,RAYAGFUWJXADGE-UHFFFAOYSA-N
26339
+ rxn:2:80091:93074,CCS(=O)(=O)c1ccc(C(C)NCC23CN(C)CC(CN(C4CC4)C2)C3(F)F)cc1,WTHOUGGSVLKHHI-UHFFFAOYSA-N
26340
+ rxn:2:80150:114642,CCS(=O)(=O)OC[C@H]1CCC(NCCc2ccccc2OC2CN3CCC2CC3)C1,IKKPNPZFMWCVHY-RHKCVOJBSA-N
26341
+ rxn:2:80172:126170,CCCC(C(Nc1cnn(COC2CCCCC2)c1)c1ccc2c(c1)CCC2)N1CCCC1,AUASOQSZTHDRCZ-UHFFFAOYSA-N
26342
+ rxn:2:81051:73038,CCC(Nc1ccc(N2CCC(C)CC2)nc1OC)c1cnc(N2CCN(CC)CC2)cc1C,NRRSONIGYWOAAD-UHFFFAOYSA-N
26343
+ rxn:2:82081:144460,CCC(NC1(c2noc(C(C)C)n2)CCN(C)CC1)c1cccc(C2C(CSC(C)=O)C2(F)F)c1,VMMWQRDZMJBTOC-UHFFFAOYSA-N
26344
+ rxn:2:82903:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(C)c(CC4(C)CC4)nn3C)C2(F)F)nc1,OKDMTGOQIFTOFW-UHFFFAOYSA-N
26345
+ rxn:2:83448:117362,CCOS(=O)(=O)C[C@]12CCC(CC1NCC(N(C)C)C13CCC(CC1)C3)C2(C)C,WTXUSMPQWLQMFF-GXUMUYLRSA-N
26346
+ rxn:2:83822:125415,CCS(=O)(=O)C1C2CCCC1CC(CNC1CC3(C)C4CN(C)CC(C4(F)F)C3(C)C1)C2,FDGHCVSTPAKQRQ-UHFFFAOYSA-N
26347
+ rxn:2:83871:149822,CCC(NC1(C)CCN(Cc2nnc[nH]2)C1)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,PWCLSANNVAOSHZ-UHFFFAOYSA-N
26348
+ rxn:2:84015:103580,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC(F)(F)CN1CC3CC1CS3)C2,YSRHIYZHIZAHLW-SYRUZEPSSA-M
26349
+ rxn:2:84015:105965,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NOCC1C3CC4CC(C3)CC1C4)C2,KBEFWNNEEAVHDS-MGRMUMLGSA-M
26350
+ rxn:2:84015:118307,COCC(C)(NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,ZKCYMWNSNXQRIS-QTCVMZAOSA-M
26351
+ rxn:2:84015:120312,COCC(ONC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,VYYHFYSLFWJRDO-ZMKGXKRHSA-M
26352
+ rxn:2:84015:122640,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)c3ccccc3)CCC1)C2,LHBREQIJPLNIBO-IAYYMHMVSA-M
26353
+ rxn:2:84015:127436,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCSCC1C3CC4CC(C3)CC1C4)C2,SEFQAJZMUWHZHR-WYTWMPHRSA-M
26354
+ rxn:2:84015:130221,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCCOC13CC4CC(CC(C4)C1)C3)C2,OTUOPWDXGYYFTG-LNHYMDRVSA-M
26355
+ rxn:2:84015:84722,CC(C)(CCNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)OC12CC3CC(CC(C3)C1)C2,IMKIZZIHOPOETK-IGJANWQHSA-M
26356
+ rxn:2:84044:73038,CCC(Nc1ccc(N2CCCC2)nc1OC)c1cnc(N2CCN(CC)CC2)cc1C,ZDTSDBTZSPEUFF-UHFFFAOYSA-N
26357
+ rxn:2:84242:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc(CN2CCN(C)CC2)cc1,HOEKKXQKGLEFTD-UHFFFAOYSA-M
26358
+ rxn:2:84530:97636,CCOS(=O)(=O)C[C@]12CC[C@@H](CC1NC13CCC(CN(C)C)(CC1)CC3)C2(C)C,CXOGIHHOVZYZHI-SFYUTTBMSA-N
26359
+ rxn:2:84556:88564,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CC2CCC(C1)S2,VFFGTMCGJIQSBS-UHFFFAOYSA-M
26360
+ rxn:2:84594:100600,CN(C)C(c1ccc[nH]1)C1(NC2CCC(N(C)C(C)(C)C)CC2)CC1,LZVUXZLRRMNASH-UHFFFAOYSA-N
26361
+ rxn:2:84594:118868,CN(C1CCC(NC2C3CCCCCC32)CC1)C(C)(C)C,OFFUZXQIAZQCGJ-UHFFFAOYSA-N
26362
+ rxn:2:84895:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCC1CC3CCC1C3)C2,YGQHQZFAMORGSH-UHFFFAOYSA-M
26363
+ rxn:2:84946:159916,COc1ccc(C(NCc2ccc(OS(=O)(=O)F)cc2)C23CN4CN(CN(C4)C2)C3)cc1,UHESIEXRDQYXAJ-UHFFFAOYSA-N
26364
+ rxn:2:85076:117066,CC(NCC1CC2CCC1C1CN(C)CC21)c1ccc(OS(=O)(=O)[O-])cc1,ZJTDQBBCGQROKP-UHFFFAOYSA-M
26365
+ rxn:2:85213:74747,CC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)OC12CC3CC(CC(C3)C1)C2,AFYVYDGOXROAHV-RMEOFUPJSA-M
26366
+ rxn:2:85213:85115,CCS(=O)(=O)OCC1CCC(NCC(C)OC23CC4CC(CC(C4)C2)C3)C1,RKZDPWNNLOOSEF-UHFFFAOYSA-N
26367
+ rxn:2:85442:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCc1ccc(S(C)(=O)=O)cc1)C2,IGGHCBFYNKJLEE-UHFFFAOYSA-M
26368
+ rxn:2:85500:117066,CC(NCC1CCC2CC1CN2CCN(C)C)c1ccc(OS(=O)(=O)[O-])cc1,AXUAICLHQDMBKY-UHFFFAOYSA-M
26369
+ rxn:2:85500:141610,CC(NCC1CCC2CC1CN2CCN(C)C)c1ccc(S(=O)(=O)[O-])cc1,DSLRLCAVENIXMP-UHFFFAOYSA-M
26370
+ rxn:2:85543:83651,CN(CC1CCCC1NCC1CC(N(C)C)C1)CC(C)(C)C,MQSKPTUZKNAHKB-UHFFFAOYSA-N
26371
+ rxn:2:86047:83876,CC1(C)Cc2c(cnn2C2COC2)C(N[C@@H](c2ccc(O[Si](C)(C)C)cc2)C2CC2)C1,PYAWFUSGBPUTEM-SYIFMXBLSA-N
26372
+ rxn:2:86106:115389,CCC(C(Nc1cnccc1OCCN1CCOCC1)c1ccc2c(c1)CCCC2)N1CCCC1,UTXNISGZPLDCSI-UHFFFAOYSA-N
26373
+ rxn:2:86439:135212,CS(=O)(=O)c1ccc(C2CC2CCNC2CC3CCC(C2)N3C2CC2)cc1,CSMKXAHWQZGPFN-UHFFFAOYSA-N
26374
+ rxn:2:87087:117225,CCC(Nc1ccc(OCCN2CCOCC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,BLAYSVGALYSIPN-UHFFFAOYSA-N
26375
+ rxn:2:87625:153662,CCc1ccc(C(NCCN=S(C)(C)=O)C23CN4CN(CN(C4)C2)C3)cc1,KYGPRQNQDNVTPN-UHFFFAOYSA-N
26376
+ rxn:2:87625:91416,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCCN=S(C)(C)=O)C2,KZGUUCSXDIPCMJ-UHFFFAOYSA-N
26377
+ rxn:2:87835:126170,CCCC(C(Nc1cnc(OCC2CC2)cc1C)c1ccc2c(c1)CCC2)N1CCCC1,JBMWZYCOJHZWFU-UHFFFAOYSA-N
26378
+ rxn:2:87835:171582,CCCC(C(Nc1cnc(OCC2CC2)cc1C)c1ccc2c(c1)CCCC2)N1CCCC1,SBAWIFZXYWUTNG-UHFFFAOYSA-N
26379
+ rxn:2:87986:79723,CCC(Nc1ccc(OCCN2CCCCC2)nc1)c1ccc(N2CCN(CC)CC2)nc1C,NHHPVQQTKPAIJC-UHFFFAOYSA-N
26380
+ rxn:2:88247:155396,CC(=O)c1ccc(C2C(CSC(C)NC3CCCN(c4nc(C)c(C)c(=O)n4C)C3)C2(F)F)nc1,PJLVUQFDAYBFGC-UHFFFAOYSA-N
26381
+ rxn:2:88302:113614,COC(C)(C)C1CC(NC(c2ccc(C(C)(C)C)cc2)C2CCCC2)C1,UBUSFKYQNHKCHT-UHFFFAOYSA-N
26382
+ rxn:2:88556:126319,CC[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](NC(c2ccccn2)C2CCC2)C1,ASTQVEZQTMBBCB-UFAKBRAWSA-N
26383
+ rxn:2:88564:117948,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1C2CC3CC(C2)CC1C3,XETUVZNUAFISTI-UHFFFAOYSA-M
26384
+ rxn:2:88564:120312,COCC(ONC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3,MZTWIVROUSEDHX-UHFFFAOYSA-M
26385
+ rxn:2:88564:139272,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CC2CC1CC2(F)F,MKDLYMXYRFNSRT-UHFFFAOYSA-M
26386
+ rxn:2:88946:171582,CCCC(C(Nc1cnc(OC2CCN(CC)CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,OYHSRFREBRTHSC-UHFFFAOYSA-N
26387
+ rxn:2:89200:115389,CCC(C(Nc1cnccc1OCCC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,JNSXNIVWOMDPRV-UHFFFAOYSA-N
26388
+ rxn:2:89452:93074,CN1CC2CN(C3CC3)CC(CNC(CS(=O)(=O)[O-])c3ccccc3)(C1)C2(F)F,RSMXDKVTNJAKOQ-UHFFFAOYSA-M
26389
+ rxn:2:89595:117066,COC1CCCN(CC#CCNC(C)c2ccc(OS(=O)(=O)[O-])cc2)C1,WMMHIYINWUNWLF-UHFFFAOYSA-M
26390
+ rxn:2:90636:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3ccnc(N4CC[C@@H](OC)[C@@H](F)C4)n3)ccc2[nH]1,KFWJDVVBPLBQLY-HDQKBQCZSA-N
26391
+ rxn:2:90676:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3cc(C4(C)CCCC4)nn3C)C2(F)F)c1,JZJXCKAOEFIEIN-UHFFFAOYSA-N
26392
+ rxn:2:91416:100673,CC1(C)C2CCC1(CS(=O)(=O)F)C(NC1CCN(OCc3ccccc3)CC1)C2,GFUPQSGHHMGZEQ-UHFFFAOYSA-N
26393
+ rxn:2:91416:99871,CCSC(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)C1C2CC3CC(C2)CC1C3,PZXKAVRFBQAPON-UHFFFAOYSA-N
26394
+ rxn:2:91675:67412,CN1C2CCC1CC(CNC1C[C@H]3CC[C@]1(CS(=O)(=O)F)C3(C)C)(N(C)CC1CC1)C2,OFHWFHBVJZGULB-GNXSNPGASA-N
26395
+ rxn:2:92384:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CCN(Cc2ccccc2)CC1,TUBVDIBAPTTXCM-UHFFFAOYSA-M
26396
+ rxn:2:92910:112215,CCC(C(Nc1cnc(OCC2CCCN(CC)C2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,YVBBTZXEUNGOSJ-UHFFFAOYSA-N
26397
+ rxn:2:92978:171582,CCCC(C(Nc1cnccc1OC(C)C(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,LSANTDQBXWWAJY-UHFFFAOYSA-N
26398
+ rxn:2:93004:126170,CCCC(C(Nc1cc(OCC2CC2)ncc1C)c1ccc2c(c1)CCC2)N1CCCC1,SGEYAMGNNRLDRD-UHFFFAOYSA-N
26399
+ rxn:2:93004:171582,CCCC(C(Nc1cc(OCC2CC2)ncc1C)c1ccc2c(c1)CCCC2)N1CCCC1,BXLRNWSEPDOOAN-UHFFFAOYSA-N
26400
+ rxn:2:93664:139138,CSc1ccc(C#CCCNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)cc1,YHDXSXFBMXJBBD-UHFFFAOYSA-M
26401
+ rxn:2:93780:141775,CCC(Nc1ccc(OCCN2CCC(C)CC2)nc1)c1ccc(N2CCN(C(C)C)CC2)nc1C,JLUSTPRDLICLKJ-UHFFFAOYSA-N
26402
+ rxn:2:94031:118935,CCC(Nc1cnc(OCCN2CCOCC2)nc1)c1ccc(OC(=O)C(C)(C)C)cc1,MTMLAAAZXJFCAJ-UHFFFAOYSA-N
26403
+ rxn:2:94757:126600,Cc1ccc(C(C)NCCOCC2CCCN(C)C2)c(OS(=O)(=O)F)c1,MAUPCPZHVGYCKK-UHFFFAOYSA-N
26404
+ rxn:2:96223:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccccc1CN1CCN(C)CC1,BKRIIVLDFDCNOJ-UHFFFAOYSA-M
26405
+ rxn:2:96241:139138,CC(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)(c1ccccc1)N1CCCC1,RTDOPXWIOUMMLS-UHFFFAOYSA-M
26406
+ rxn:2:96458:142451,CC(=O)c1cncc(C2C(CCSC(C)Nc3[nH]nc(CC(C)(C)C)c3C)C2(F)F)c1,UKGPUNDZZPUEPM-UHFFFAOYSA-N
26407
+ rxn:2:96458:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3[nH]nc(CC(C)(C)C)c3C)C2(F)F)n1,YBLQGVSYPHRWRH-UHFFFAOYSA-N
26408
+ rxn:2:96507:110033,CCOCC1CCN(c2ccc(NC(C)c3sc(N4CCN(CC)CC4)nc3C3CC3)cn2)CC1,VKLWBSXSTBDPSQ-UHFFFAOYSA-N
26409
+ rxn:2:96507:112215,CCOCC1CCN(c2ccc(NC(c3ccc4c(c3)CCC4)C(CC)N3CCCC3)cn2)CC1,XICDNHMUIIVVKN-UHFFFAOYSA-N
26410
+ rxn:2:96507:115389,CCOCC1CCN(c2ccc(NC(c3ccc4c(c3)CCCC4)C(CC)N3CCCC3)cn2)CC1,WDVSCOCAYBUZEH-UHFFFAOYSA-N
26411
+ rxn:2:96710:87087,CCC(Nc1ccc(N2CCC(CCOC)CC2)nc1)c1cnc(N2CCN(C(C)C)CC2)cc1C,LXNKUNMYIPLUPG-UHFFFAOYSA-N
26412
+ rxn:2:97326:156116,COCC1(NC(CN2CCc3ccccc3C2)c2ccc3c(c2)OCO3)CC(C[Si](C)(C)C)C1,HAOPRXBCPAOOPR-UHFFFAOYSA-N
26413
+ rxn:2:97593:135343,COc1ccc(C(CN2CCN(C)CC2)NC2CC3CCC2(CS(=O)(=O)OC)C3(C)C)cc1,OEJNYZCMTIFXLI-UHFFFAOYSA-N
26414
+ rxn:2:97593:139138,COc1ccc(C(CN2CCN(C)CC2)NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)cc1,YWOFWVAPZWAMGV-UHFFFAOYSA-M
26415
+ rxn:2:98377:144623,CCCOC1(CNC2CC(c3ccc(C(C)C)cc3)Cc3[nH]ncc32)CCCCCC1,OWWHWDFYYPEXGT-UHFFFAOYSA-N
26416
+ rxn:2:99448:126170,CCCC(C(NC1(COc2cccnn2)CCOC1)c1ccc2c(c1)CCC2)N1CCCC1,UBPZQZIRCYCHNO-UHFFFAOYSA-N
26417
+ rxn:2:99566:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3nc(N4CCN(C)CC4)ns3)C2(F)F)n1,WJICCINJEHOYAV-UHFFFAOYSA-N
26418
+ rxn:2:99871:67412,CCSC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)F)C2(C)C)C1C2CC3CC(C2)CC1C3,PZXKAVRFBQAPON-YXNKBPMPSA-N
26419
+ rxn:2:99871:87885,CCSC(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)OC)C2(C)C)C1C2CC3CC(C2)CC1C3,FTOCPKNVFYKKKW-FPBLOMPZSA-N