Added 212 molecules from epoch 17026 for B1WC68
Browse files- B1WC68_molecules.csv +212 -0
B1WC68_molecules.csv
CHANGED
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@@ -33017,3 +33017,215 @@ rxn:2:122527:160422,CC(NC1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccc(N2CCCCCC2)cc1,HFTGS
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| 33017 |
rxn:2:80372:155159,Cc1ccc(N2CCN(C)CC2)c(NC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)c1,GLYULZSULCMSLH-UHFFFAOYSA-N
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| 33018 |
rxn:2:81598:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,RPZIHTBKIWLYQH-UHFFFAOYSA-N
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| 33019 |
rxn:2:87783:124940,CC(C)N1CCC(NC2COc3ccc(S(C)(=O)=O)cc32)CC1c1ccc2c(c1)OCO2,XVZUGFYYGJNHIA-UHFFFAOYSA-N
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| 33017 |
rxn:2:80372:155159,Cc1ccc(N2CCN(C)CC2)c(NC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)c1,GLYULZSULCMSLH-UHFFFAOYSA-N
|
| 33018 |
rxn:2:81598:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,RPZIHTBKIWLYQH-UHFFFAOYSA-N
|
| 33019 |
rxn:2:87783:124940,CC(C)N1CCC(NC2COc3ccc(S(C)(=O)=O)cc32)CC1c1ccc2c(c1)OCO2,XVZUGFYYGJNHIA-UHFFFAOYSA-N
|
| 33020 |
+
032DB66DC708C0AC_ED6394D3E55D4499_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC3=C(C)OC(=C3)C(OC)=O,FTNNEKKVLLBKCD-UHFFFAOYSA-N
|
| 33021 |
+
054E72643C2816BA_E8EC81692DA8B5BD_6038_UN,CC(=O)C3=C(OC(CCCC1(C)N=N1)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,KBQMJSWHZODHNJ-UHFFFAOYSA-N
|
| 33022 |
+
05AB72A7D7B86C81_24D06394EBC47DF7_7013_UN,N2=C(C=CC1=C(C=C(C)C=C1C)C)[N](C3=C2C=CC=C3)C4CCC4,MVHYSMKCDTUAQQ-UHFFFAOYSA-N
|
| 33023 |
+
05D00E1529C5E5FE_275A4D69F5BBBA13_6041_UN,CC(C)C1=NC(=NC(=N1)NC2CCC(C)(C)C=C2)N(C)C,GPFHHPAAHWYRNJ-UHFFFAOYSA-N
|
| 33024 |
+
068E0F985B8B424C_FFE9A9A40C580C8D_6038_UN,CN1C(NC(C(=C1)CNC(C2=C(NC(OCC)=O)SC=N2)=O)=O)=O,KNXZXOAXFBKCGW-UHFFFAOYSA-N
|
| 33025 |
+
06AC1B2BF631E170_5F0F679EC4BA7D2E_6003_UN,O(CC(=O)NCC(F)(F)F)C2=CC=C(C(C(C)N1C(=O)CCC1=O)=O)C=C2,XVSVZOGVDRUFOD-UHFFFAOYSA-N
|
| 33026 |
+
086488867BCA147C_46DBAFEA6A3F3ADC_6041_UN,CC1=NC(=NC(=C1)N[C@@H]3C2=CC=CC(=C2OCC3)C)C,ZDXSMLWHTFCDAR-AWEZNQCLSA-N
|
| 33027 |
+
0DDC5127C6E09BE7_5CA202E7BCDC02CA_6041_UN,CN(C)C1=NC2=C(C(=N1)N[C@H](CC(=O)O)C(=O)O)C=CC=C2,QYQLOJRCEYPWIA-SNVBAGLBSA-N
|
| 33028 |
+
0F3749B505B7042E_155DC1177931EC8B_7019_UN,C(C1COC2=C1C=CC=C2)=CC3=C(C=C(C)C=C3C)C,DVAGSOUOXAMHGQ-UHFFFAOYSA-N
|
| 33029 |
+
11A2D9B255387484_C40E63A80FA54922_6038_UN,CCC(C)C(OC(=O)C1=NC=CN2CC[S](=O)(=O)N=C12)CN(C)C,OONVLVKMNRLPRU-UHFFFAOYSA-N
|
| 33030 |
+
143177C889FE4D06_C68413BD541155F2_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC3CN(CC3C)C)C,TUAHUFXNXBQHFI-UHFFFAOYSA-N
|
| 33031 |
+
14528EE11177CA57_A76FC52CE5F66420_6029_UN,N(CC(=O)CCC(=O)O)[S](C1=NN=C([N](=O)=O)[NH]1)(=O)=O,SXAYVMHICXPCMY-UHFFFAOYSA-N
|
| 33032 |
+
159C51CE6C5B29CC_552FBE94B4C2C5C2_6029_UN,OC(=O)CCN(C(=C1C(C=CC=N1)=O)O)[S](C2=NC(=CC=N2)I)(=O)=O,BIRQGWQOOPFHDE-UHFFFAOYSA-N
|
| 33033 |
+
15D806931F05B74F_5E5DE72E37BC10EC_6041_UN,OC(=O)C1=C[NH]C2=C1C(=NC=N2)NCCCC(N(CC)CC)=O,ZOFZATOOTJYTPT-UHFFFAOYSA-N
|
| 33034 |
+
161E14DC3F5DBAD5_2849352024E8269C_2875_UN,C[C@@H]([N]1N=NC(=C1)C2=CC=C(C=C2)C3NCCC3)C4=C(C=C(C=C4)F)C,XJDFXFNRZAMWCK-IWPPFLRJSA-N
|
| 33035 |
+
1627AD9F24D5E192_7288D9355F142F44_6029_UN,CC(=C1C(=NC(=N1)C2=CC=CC=C2)C)N(O)[S](C3=NC4=C(S3)[NH]C(=C4)C(O)=O)(=O)=O,YTTWOIOFOSSOTM-UHFFFAOYSA-N
|
| 33036 |
+
16B790A0CFD03559_30C5E084A6789BEB_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NCC4=CC=C(C(N3CCN(C)CC3)=O)C=C4,IZVYUJZXYCWIJG-UHFFFAOYSA-N
|
| 33037 |
+
176DDD4196EEECE1_ACA474BC2C47844C_6041_UN,C1(=CC=C(C=C1)C(=O)N2CCC(=O)CC2)NCC3=CN=C(N(C)C)N=C3,JOANNRVTTSKBFI-UHFFFAOYSA-N
|
| 33038 |
+
198A4D8238A2CDC7_2805E44ADF7A9DDC_6026_UN,ClC2=C1C(=CC=C(C1=CC=C2)[S](=O)(=O)N(C3=C(C=C(F)C=C3)I)C4CCC4)Cl,PRHHKAJDFAUHDO-UHFFFAOYSA-N
|
| 33039 |
+
198B5CF78CB1D5BD_2794A00F0548C60C_6029_UN,N([C@H](C1=CC=CC=C1)[P](=O)(O)O)[S](C2=NC(=N[NH]2)C3CC3)(=O)=O,PPUTVBLMPBMLRY-NSHDSACASA-N
|
| 33040 |
+
1996E539D47971A1_465F36D382C18DF9_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)F)F)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,ASKZYPURACYOEF-GHTZIAJQSA-N
|
| 33041 |
+
19AA482951A37D06_5C8C0631742EF3A8_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC(C3C(F)(C3)F)C4,VFNTTXXCYKJWRH-UHFFFAOYSA-N
|
| 33042 |
+
1DA0C96043CBBCD5_201EBB85FD4867A9_6038_UN,N(CC[N]1N=NC(=C1)C2=CC=CC=C2)C(C3=C(N=C(C(N(C)C)=O)C=C3)C)=O,BLFREPPUBRYBTN-UHFFFAOYSA-N
|
| 33043 |
+
1E4FFEF25F9C7C8E_C0E1A9172314672E_6026_UN,ClC1=C(C=CC=C1)[S](=O)(=O)N(C2=C(C=C(F)C=C2)I)C3CC3,UYMSVHGGTJMRSN-UHFFFAOYSA-N
|
| 33044 |
+
1E7B9F4615306DC3_8F6AD0F04EFAA002_6029_UN,N(CCC1=CC=C(C=C1)F)[S](C2=C(F)C=CC=C2Cl)(=O)=O,ZPMGRIGRFVRMGM-UHFFFAOYSA-N
|
| 33045 |
+
1F3D1BD984FBADD7_38F0FDBE22585581_6041_UN,CC2=C(C=C1C(=NC=NC1=C2)NC4=C(N3CCC(C)CC3)C=CC(=C4)F)C,LWTJNSKFFNXZRU-UHFFFAOYSA-N
|
| 33046 |
+
1FB993B5A7E020BD_AF84A9BC6C5B570A_6038_UN,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(C3(CCN(C)C)CC3)=O,UTPZVVDHOZPKOX-UHFFFAOYSA-N
|
| 33047 |
+
2120AF078E320C07_D0301FE96F423874_6029_UN,N([C@H]1[C@@H](C1)C2=CC(=C(C=C2)Cl)F)[S](C4=CC=C(OC3=CC=C([S](Cl)(=O)=O)C=C3)C=C4)(=O)=O,BSDIAAZPFLSGHC-GHTZIAJQSA-N
|
| 33048 |
+
258E593BB3221743_2C3CEA6E18D02A1F_6034_UN,C(C1CCNCC1)C3=NC2=C(C=CC=C2)N3CCC#C[Si](C)(C)C,WPYDWBOCDHGLIL-UHFFFAOYSA-N
|
| 33049 |
+
265C9D72C3D5C672_B616D6C604233ED4_7013_UN,CC[N]2C1=CC(=CC=C1N=C2C3CCC(=CC3C)C)Br,YLKWTLXZRZUBPS-UHFFFAOYSA-N
|
| 33050 |
+
2708C30291225CD8_4880540AF2086C8B_6041_UN,CC2=C(C=C1N=C(C(=NC1=C2)C)NC4C3=CC=CC(=C3OCC4)CC)C,HYNBCIHVQGKLCF-UHFFFAOYSA-N
|
| 33051 |
+
28FAEAA7D46A499C_09F56422FB64F8AA_6038_UN,N(C1=CC=C(C=C1)CN2C(=O)CCCC2=O)C(C3(C(N(C(C)C)C)=O)CC3)=O,WJCIVONTIJTNQI-UHFFFAOYSA-N
|
| 33052 |
+
2947AAC7833EDCAA_EB44F80C587C1AD6_6038_UN,N(CCC(=O)N1CCN(CC1)C2=NC=CC=N2)C(C3=C(C=C(N(C)C)C=C3)F)=O,LCOFXRJYLRKEIV-UHFFFAOYSA-N
|
| 33053 |
+
29AF81433D0AF43F_140F0877EFBEA445_7019_DP,N3CCC1=C(C=CC=C1C=CC2=C(C)C=CC=C2C)C3,WGRYHVGAULAGLR-UHFFFAOYSA-N
|
| 33054 |
+
29D9595026C58496_5562FB69ECFF381C_6038_UN,CC(C)[N]1C(=NN=C1)CCNC(C(CCN(C)C)=C)=O,POMUDUWNFKMRLK-UHFFFAOYSA-N
|
| 33055 |
+
2B19441268A987AD_93584F890BEEBB9A_6038_UN,CC(NC(C1=NC(=NC(=N1)N(C)C)N)=O)C2=CCN(C)CC2,UVKOMOOZAACLOH-UHFFFAOYSA-N
|
| 33056 |
+
2CE64A735EE76367_AFC986FCFADFC4B9_6026_UN,ClC1=CC(=C(C=C1)Br)[S](=O)(=O)N3CC(C2=C(F)C=CC=C2)C3,NVIGZBTURJTNPQ-UHFFFAOYSA-N
|
| 33057 |
+
2E0C5BBCC1B4A500_9DC0C8DD3E489428_6041_UN,C1(=CC=C(C=C1)C(=O)CC2CC2)NCC3=C[N](CCC)N=N3,MOINMJFCXBJOHW-UHFFFAOYSA-N
|
| 33058 |
+
2F6590459B3B04D8_4293BEC37E12FB6C_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC3N(CCN(C)C3)CC4=CC=CC=C4,XZYZNALYNZDFSJ-UHFFFAOYSA-N
|
| 33059 |
+
2F9F21E8353E27D1_9E93B8235280E7F2_6038_UN,CC(=O)N2CCN(CCNC(C1=CN=C(N(C)C)C=C1)=O)CC2,BWQZNSBKZMQHHL-UHFFFAOYSA-N
|
| 33060 |
+
3048A085A0B4225D_937E382C71F7C534_6041_UN,CC1=NC3=C(C(=N1)N2CCC2)C=C(S3)NCC4=CC=C(N(C)C)C=C4,OTSAINWCQUNOIL-UHFFFAOYSA-N
|
| 33061 |
+
30EF09BCB2DF90D5_7DBEE40273E4A41B_6029_UN,C[N]1C(=C(Cl)N=C1N2CCN(CC2)[S](C3=CC(=[N](=O)C=C3)Cl)(=O)=O)C#N,UXXSDOFKJIEPBW-UHFFFAOYSA-N
|
| 33062 |
+
32B1147247162223_59B98DA16F61D465_6041_UN,OB(O)C1=CC(=C(C=C1)NC(CCC2=NN=N[NH]2)C(=O)O)[N](=O)=O,SDYZQRGTMJOUCN-UHFFFAOYSA-N
|
| 33063 |
+
334DE457C4A2108A_0C7BAE3A71C02C3A_6038_UN,CC(=O)C3=C(OC(CCCN1C(N(C)CC1=O)=N)=O)C2=C(C=C(C=C2)[N](=O)=O)C3=O,FOMSSXSNAAZBJV-UHFFFAOYSA-N
|
| 33064 |
+
3485A97ADD70BBA8_6847B76FB97EC87E_6034_UN,NN1CC(=O)C(=C1N)C3=NC2=C(C=CC=C2)N3CC(CCC)=O,ORYYNUYDERXNSI-UHFFFAOYSA-N
|
| 33065 |
+
354F1D7966FFC665_E1E7CAFAC85E207E_2875_UN,OC(C[N]1N=NC(=C1)C(NCC)=O)CC2=CC(=CC=C2)F,WOYVWHLLBFIFBR-UHFFFAOYSA-N
|
| 33066 |
+
390413CFDBAF45FE_8A4E70260BED1BED_6028_UN,N(CCC1=CC(=CC=C1)C#N)[S](C2=CC=C(F)C=C2)(=O)=O,XNAGCDMLXJSXBB-UHFFFAOYSA-N
|
| 33067 |
+
3920A32C7E4A1676_808DC64DFDEBC0E1_6009_UN,C1(=CCOC1=O)C4(C2=C[NH]C3=C(CC)C=CC=C23)CCNCC4,DCPZQMOHAQETNX-UHFFFAOYSA-N
|
| 33068 |
+
393D2CFEAABDF8AB_5EA3A878094C0A9F_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)NCC(OC)C(=O)O,KVAMYPUEERXHGV-UHFFFAOYSA-N
|
| 33069 |
+
3990DEDADF497A5A_12343337B7399A28_6038_UN,COCC(NC(C1(C(N(C(C)C)C)=O)CC1)=O)COC,HPTAPPAOCUJMHU-UHFFFAOYSA-N
|
| 33070 |
+
3AA507771D961D2E_1BEB73C8AB884318_6041_UN,CC2=C(C=C1N=C(C(=NC1=C2)C)NC4C3=CC=CC(=C3OCC4)C)C,ILRWYYZACLEYPC-UHFFFAOYSA-N
|
| 33071 |
+
3CC81B918C4ACCCE_15C4B57C1276ED2D_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC(OC3=CC=CC(=C3)Br)C4,VUQOTSIHPRRGLV-UHFFFAOYSA-N
|
| 33072 |
+
3F63F7CA88D3A399_96DBBCC1B3125058_6029_UN,N(OC(C1CC1)C(=O)O)[S](C2=NN=C([N](=O)=O)[NH]2)(=O)=O,DOGFZAIXBROIQI-UHFFFAOYSA-N
|
| 33073 |
+
415BC3E05FCCE513_3F841D58E8F1202E_6041_UN,OC(=O)C[N]1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)C(CCC)=O,KDQFEBAIBGZGRK-UHFFFAOYSA-N
|
| 33074 |
+
41DE53A861ECE29C_2D18034F263F645E_6041_DP,N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)NCC3=CN=C(N(C)C)C=C3,ZZHRUSHOIBTUHA-UHFFFAOYSA-N
|
| 33075 |
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|
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|
| 33157 |
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|
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|
| 33159 |
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D2082EEE91E81552_F15814CA22807FB6_6028_UN,N(CCC1=CC(=CC(=C1)Cl)Br)[S](C2=CC=C(C=C2)Br)(=O)=O,MOVKHJPBPRIKLB-UHFFFAOYSA-N
|
| 33160 |
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|
| 33161 |
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|
| 33162 |
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|
| 33163 |
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|
| 33165 |
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|
| 33166 |
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|
| 33167 |
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| 33168 |
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|
| 33169 |
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| 33170 |
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|
| 33172 |
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|
| 33173 |
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DFC39488B0FD33E2_20EF0BE1C06F6F5F_6038_UN,CC1=CC(=CC=C1)C(=O)CNC(C2=C[N](CCCC)N=N2)=O,ZFNVDYDGCUCZSH-UHFFFAOYSA-N
|
| 33174 |
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|
| 33175 |
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|
| 33176 |
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E198E8403E8BED51_9754344F2DC0157A_6026_UN,ClC1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N[C@@H]3C[C@H](C3)C4=C(C=C(C=C4)F)F,YNAVJBAJBBNBCI-RUCARUNLSA-N
|
| 33177 |
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|
| 33178 |
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|
| 33179 |
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|
| 33180 |
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|
| 33181 |
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|
| 33182 |
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|
| 33183 |
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|
| 33184 |
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|
| 33185 |
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|
| 33186 |
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|
| 33187 |
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|
| 33188 |
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|
| 33189 |
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|
| 33190 |
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|
| 33191 |
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|
| 33192 |
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|
| 33193 |
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|
| 33194 |
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FF15B6DEADD0C39F_CCC5F0E44AB55A17_6038_UN,C[C@@H](OC(=O)COC1=NC(=O)NC(=O)N1)CC2=CSC=C2,AUPSVIAUFYUENF-SSDOTTSWSA-N
|
| 33195 |
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rxn:1:10879:58578,CCOC(=O)C1=C(Cn2cc(CN3C(=O)COc4ccc([N+](=O)[O-])nc43)nn2)NC(=O)NC1,JQBGELSNTZMUPQ-UHFFFAOYSA-N
|
| 33196 |
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rxn:1:24230:44796,CC1(C(=O)OCc2cn(CCC#Cc3c[n+]([O-])ccc3[N+](=O)[O-])nn2)COC(=O)OC1,FXUCOZYJPDPUDP-UHFFFAOYSA-N
|
| 33197 |
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rxn:1:3397:44796,COC(=O)N1CCN(C(=O)c2cn(CCC#Cc3c[n+]([O-])ccc3[N+](=O)[O-])nn2)CC1,SIWCXGUVSRWDJH-UHFFFAOYSA-N
|
| 33198 |
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rxn:1:3434:47750,CN1CC(=O)OB(c2cn(CC(O)C(O)c3ncc(Cl)cc3[N+](=O)[O-])nn2)OC(=O)C1,JQLPZKOYIXEZOV-UHFFFAOYSA-N
|
| 33199 |
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rxn:1:42347:3664,COc1cc(C=C2NC(=O)NC2=O)cc(I)c1OCc1cn(CC(C)(C)[N+](=O)[O-])nn1,GGEBVLHBJKCUPR-UHFFFAOYSA-N
|
| 33200 |
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rxn:1:42347:9426,COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cn(CC(C)(C)[N+](=O)[O-])nn1,CUYGYQWMOFVHSY-UHFFFAOYSA-N
|
| 33201 |
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rxn:1:59652:33381,CCOc1ccccc1C(=O)N1CCC(n2cc(CN3C(=O)SC(=Cc4ccc(OC)c(I)c4)C3=O)nn2)CC1,VISIEUKDHZNERM-UHFFFAOYSA-N
|
| 33202 |
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rxn:1:59653:1285,CCOc1ccc(C(=O)N2CCC(n3cc(CN4C(=O)SC(=Cc5ccc(C(=O)O)cc5)C4=O)nn3)CC2)cc1,PCYUAMSVTVLTAB-UHFFFAOYSA-N
|
| 33203 |
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rxn:1:60331:25490,Cc1cc(Br)c(Cl)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,LKTIHTTVMFTFNT-UHFFFAOYSA-N
|
| 33204 |
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rxn:1:60331:25491,Cc1cc(Br)c(F)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,AISAADVIBBWWEL-UHFFFAOYSA-N
|
| 33205 |
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rxn:1:60331:25495,Cc1cc(Cl)c(Cl)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,ISQPSBLTAQFYFI-UHFFFAOYSA-N
|
| 33206 |
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rxn:1:60331:25496,Cc1cc(F)c(Br)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,CICSFBDFTSUWFU-UHFFFAOYSA-N
|
| 33207 |
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rxn:1:60331:25565,Cc1cc(Cl)nc(Cl)c1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,GBOYAJUGFUNZEL-UHFFFAOYSA-N
|
| 33208 |
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rxn:1:60932:9589,COC1(C(F)(F)F)CCN(CCn2cc(COc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3)nn2)CC1,GRDGNZUOMYCNNW-UHFFFAOYSA-N
|
| 33209 |
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rxn:1:61053:14827,O=C(Cn1cc(CN2C(=O)SC(=Cc3cc4c(cc3Cl)OCO4)C2=O)nn1)N1CC(CF)C1,YHRZQGWXQLYSTG-UHFFFAOYSA-N
|
| 33210 |
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rxn:1:61196:14827,O=C(c1ccc(=O)[nH]n1)N1CC(n2cc(CN3C(=O)SC(=Cc4cc5c(cc4Cl)OCO5)C3=O)nn2)C1,KMPLEAGCBJIRPP-UHFFFAOYSA-N
|
| 33211 |
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rxn:1:61600:4085,CC1=C(C(=O)O)C(c2ccc(C)cc2)N=C(SCc2cn(CCOc3ccc(F)cc3C(=O)O)nn2)N1,QFONDZXMQRASFO-UHFFFAOYSA-N
|
| 33212 |
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rxn:1:62848:23419,CCOc1ccccc1C=C1SC(=O)N(Cc2cn(Cc3cccc(C(=O)/C=C(\O)C(=O)O)c3)nn2)C1=O,VSYBSEBYXXBZFD-HFKCRURASA-N
|
| 33213 |
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rxn:1:62972:8089,CC(=O)c1ccccc1N1CC(Cn2cc(C(=O)N3CCC(c4cc(O)nc(N(C)C)n4)C3)nn2)CC1=O,BHNRTERNCFOXKN-UHFFFAOYSA-N
|
| 33214 |
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rxn:1:63787:9933,CCN1C(=O)COc2ccc(-c3csc(SCc4cn(CC5CC(=O)N(c6c(C)cccc6C(=O)O)C5)nn4)n3)cc21,HWCFBIAMYABVOO-UHFFFAOYSA-N
|
| 33215 |
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rxn:1:64231:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(Cc4cccc5[nH]ccc45)C3)nn2)OC1=O,RMXCAHCIGNSMDX-UHFFFAOYSA-N
|
| 33216 |
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rxn:1:64324:4348,O=C(CN1CCNCC1)Nc1cccc(-c2cn(CC3CC(=O)N(c4c(Br)cccc4C(=O)O)C3)nn2)c1,XYTCRYWENIGHHD-UHFFFAOYSA-N
|
| 33217 |
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rxn:1:64324:5500,Cn1c(N2CCC(C(=O)NCc3cn(CC4CC(=O)N(c5c(Br)cccc5C(=O)O)C4)nn3)CC2)nc2ccccc21,NEZJJPJQIJGFDK-UHFFFAOYSA-N
|
| 33218 |
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rxn:1:64327:5500,Cn1c(N2CCC(C(=O)NCc3cn(CC4CC(=O)N(c5c(F)cccc5C(=O)O)C4)nn3)CC2)nc2ccccc21,DQSFEJRWWLXIAR-UHFFFAOYSA-N
|
| 33219 |
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rxn:1:64722:12295,O=C(Nc1ccc(-c2cn(CC3CC(=O)N(c4ccc(Br)c(C(=O)O)n4)C3)nn2)cc1)c1cccnc1N1CCOCC1,PJCMVAVUOQQWAA-UHFFFAOYSA-N
|
| 33220 |
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rxn:1:64757:5515,Cn1c(N2CCCC(C(=O)NCc3cn(CC4CC(=O)N(c5ccc(Br)cc5C(=O)O)C4)nn3)C2)nc2ccccc21,MGKYYDHONJFAAB-UHFFFAOYSA-N
|
| 33221 |
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rxn:1:65032:7055,CC(C)N1CC(C)(C)C(c2cn(CC3CC(=O)N(c4ccncc4C=O)C3)nn2)OC1=O,QAKDQRKLCGYNNO-UHFFFAOYSA-N
|
| 33222 |
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rxn:1:65150:32858,Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2C)cc1-c1cn(CC2CC(=O)N(c3ccnc(C(=O)O)c3)C2)nn1,SPHROLFLMHBMNP-XLDIYJRPSA-N
|
| 33223 |
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rxn:1:701:42571,O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1Cc1cn(CC#Cc2cc([N+](=O)[O-])ccn2)nn1,OJNCFNFSRBCMEH-UHFFFAOYSA-N
|
| 33224 |
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rxn:1:701:42572,O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1Cc1cn(CC#Cc2ccc([N+](=O)[O-])cn2)nn1,JYYAJWIBYCLAEA-UHFFFAOYSA-N
|
| 33225 |
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rxn:2:111099:126600,Cc1ccc(C(C)NCc2cn(CCN3CCCN(C)CC3)nn2)c(OS(=O)(=O)F)c1,WSYLVBSZVHIIEI-UHFFFAOYSA-N
|
| 33226 |
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rxn:2:117066:117602,CC(NCCCCN1CCC(F)(F)CC1)c1ccc(OS(=O)(=O)[O-])cc1,JIZSFVMAZOJHSP-UHFFFAOYSA-M
|
| 33227 |
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rxn:2:67353:70121,CC1(C)CCC(C)(C)CC(NC2CC3CCCC(C2)N3c2ccccc2)C1,WAQBAVIKEJGNPH-UHFFFAOYSA-N
|
| 33228 |
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rxn:2:69415:134221,CCC(Nc1ccc(OS(=O)(=O)F)c(C(C)C)c1)c1cnc(N2CCN(C)CC2)cc1C,PVZCSELPPFXZGI-UHFFFAOYSA-N
|
| 33229 |
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rxn:2:70121:102686,CC1(C)CCC(NC2CC3CCCC(C2)N3c2ccccc2)CC(C)(C)C1,LPIRJEGAWBHPQA-UHFFFAOYSA-N
|
| 33230 |
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rxn:2:70121:99344,CC1(C)CC(NC2CC3CCCC(C2)N3c2ccccc2)CC(C)(C)C1,PZFLOGYYBGJJLW-UHFFFAOYSA-N
|
| 33231 |
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rxn:2:70902:148822,CC1CC(COc2ccc(CNC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)cc2)C1,UUGIAWYISBWWMO-UHFFFAOYSA-N
|