Added 37 molecules from epoch 19538 for P23977
Browse files- P23977_molecules.csv +37 -0
P23977_molecules.csv
CHANGED
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@@ -36689,3 +36689,40 @@ rxn:4:216140:224764,O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cn2)c(F)c1)N1CC
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| 36689 |
rxn:4:222854:206000,COc1ccc(C2CCCNC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1,MONQYXMYBCITPM-UHFFFAOYSA-N
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| 36690 |
rxn:4:224331:192718,Fc1ccc(CN2CCC2)cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,DQYVMVCWLXWECJ-UHFFFAOYSA-N
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| 36691 |
rxn:4:226134:205473,Cc1c(-c2cnc(OC3CCC3)cn2)cc(C#N)cc1C1CC1,NZKVWUUIBPQXQV-UHFFFAOYSA-N
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| 36689 |
rxn:4:222854:206000,COc1ccc(C2CCCNC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1,MONQYXMYBCITPM-UHFFFAOYSA-N
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| 36690 |
rxn:4:224331:192718,Fc1ccc(CN2CCC2)cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,DQYVMVCWLXWECJ-UHFFFAOYSA-N
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| 36691 |
rxn:4:226134:205473,Cc1c(-c2cnc(OC3CCC3)cn2)cc(C#N)cc1C1CC1,NZKVWUUIBPQXQV-UHFFFAOYSA-N
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| 36692 |
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rxn:4:179124:223241,COc1c(C(F)(F)F)ccc(-c2cncc(C3CCNC3)c2)c1F,SAPYRNUPOBHFMR-UHFFFAOYSA-N
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| 36693 |
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rxn:4:179442:226382,COc1c(F)cc(-c2cnc(C3CCCCC3)nc2)cc1C(C)=O,XWQFAZXKWWHKQW-UHFFFAOYSA-N
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| 36694 |
+
rxn:4:179624:223312,FC(F)(c1ccc(-c2ccc(C3CNC3)cc2)cc1)C1CC1,XRIBULFIYBDVNL-UHFFFAOYSA-N
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| 36695 |
+
rxn:4:180301:222405,CSc1c(-c2cccc(C3NC(=O)NC3=O)c2)ccc(C2(C)OCCO2)c1F,TZSVKXQGMNPNPN-UHFFFAOYSA-N
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| 36696 |
+
rxn:4:180922:223062,FCc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1F,HPCYZXVHVJWFGI-UHFFFAOYSA-N
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| 36697 |
+
rxn:4:181646:226730,O=C1CC(c2ccc(-c3cnc(OC4CCC4)nc3Cl)c(F)c2)C1,ODDGNOBSMDUNBO-UHFFFAOYSA-N
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| 36698 |
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rxn:4:181922:226730,C[Si](C)(C)c1c(F)c(F)c(-c2cnc(OC3CCC3)nc2Cl)c(F)c1F,IISNXZVZZQACNU-UHFFFAOYSA-N
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| 36699 |
+
rxn:4:188746:228172,CCOc1cccc(-c2ccc(OCC3CC3(F)F)cn2)c1F,YKKNYCCSQCQMFZ-UHFFFAOYSA-N
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| 36700 |
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rxn:4:190307:223241,CC1CCN(CCc2cc(-c3cncc(C4CCNC4)c3)ccc2Cl)CC1,RCSJGWDVUTZFJO-UHFFFAOYSA-N
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| 36701 |
+
rxn:4:191259:222925,FCOc1ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)nc1,LWOIGYRMXIWUPM-UHFFFAOYSA-N
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| 36702 |
+
rxn:4:192485:226155,CCC(C)c1ccc(-c2cc(C(C)=O)cc(C3CC3)c2)c(F)n1,PECSVNLIQFUKOG-UHFFFAOYSA-N
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| 36703 |
+
rxn:4:193076:228216,Fc1cc(-c2cncc(C3CC3)c2Cl)cnc1OC1CCOCC1,VLAGSPUCEURVRZ-UHFFFAOYSA-N
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| 36704 |
+
rxn:4:194582:223312,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CNC5)cc4)cc3)cc2c1,WOXSVHWYJNFJEC-UHFFFAOYSA-N
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| 36705 |
+
rxn:4:195600:222925,Cc1cc(N=C=S)c(F)cc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,PXUILULNWPKJBD-UHFFFAOYSA-N
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| 36706 |
+
rxn:4:195600:223127,Cc1cc(N=C=S)c(F)cc1-c1ccc(CNC2CC2)cc1F,MOGYTIMSKGNXPF-UHFFFAOYSA-N
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| 36707 |
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rxn:4:195704:225684,Cc1nc(C2CCOCC2)ccc1-c1cc([N+](=O)[O-])c(F)c(C)c1F,JNBXFNWLRRBQEQ-UHFFFAOYSA-N
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| 36708 |
+
rxn:4:196246:226730,Fc1c(-c2cnc(OC3CCC3)nc2Cl)ccnc1C1CCC1,NEQWTVGQCBIDBL-UHFFFAOYSA-N
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| 36709 |
+
rxn:4:196284:226730,CC1(c2cc(-c3cnc(OC4CCC4)nc3Cl)ccn2)CC1(F)F,HZFFRYDJNQMKBP-UHFFFAOYSA-N
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| 36710 |
+
rxn:4:196867:227793,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)nc2F)c(F)cc1Cl,DQKADOILGBURMH-UHFFFAOYSA-N
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| 36711 |
+
rxn:4:196884:228216,Fc1cc(N2CCOCC2)cc(F)c1-c1cncc(C2CC2)c1Cl,YEWMLAXTLUZDCT-UHFFFAOYSA-N
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| 36712 |
+
rxn:4:198287:225923,Cc1c(-c2cnc(OC3CCCC3)nc2Cl)cnc(Cl)c1F,XDUYPZZGLJZKTE-UHFFFAOYSA-N
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| 36713 |
+
rxn:4:198835:222925,Fc1c(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cc2cnccc2c1F,XORPGRSGEBZHGB-UHFFFAOYSA-N
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| 36714 |
+
rxn:4:202851:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cnc(OCC(F)F)nc1,TVSUJEUAWJRFEX-UHFFFAOYSA-N
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| 36715 |
+
rxn:4:202856:227972,FC(F)(F)COc1cnc(-c2cncc(C3CCC3)c2)cn1,YRFOGPALUIUILX-UHFFFAOYSA-N
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| 36716 |
+
rxn:4:204990:224610,CCCCc1nc(-c2ccc(-c3c(F)c(C#N)c(F)c(F)c3C#N)cc2)no1,SKMSXKASZLTHBX-UHFFFAOYSA-N
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| 36717 |
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rxn:4:205045:226505,CC(C)COc1ncc(-c2cc([N+](=O)[O-])cc(C#N)c2F)cc1Cl,ZCNUZMHKYBMKCD-UHFFFAOYSA-N
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| 36718 |
+
rxn:4:206000:225172,Fc1ccc(CN2CCOCC2)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)nc1,WQLCDJRBZMGNRF-UHFFFAOYSA-N
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| 36719 |
+
rxn:4:206055:226320,N#CC1(c2ccc(F)c(-c3cnc(OC4CCCC4)nc3Cl)c2)CC1,PWUVRLBUOVIWLE-UHFFFAOYSA-N
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| 36720 |
+
rxn:4:208245:222803,O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,USPCKEMTMBVJFI-UHFFFAOYSA-N
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| 36721 |
+
rxn:4:208624:224008,O=C(c1cc(-c2cncc(-c3cscn3)c2)cc([N+](=O)[O-])c1)N1CCOCC1,SIYMJIMHOUTNMG-UHFFFAOYSA-N
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| 36722 |
+
rxn:4:209435:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cnc(C3CCCC3)cn2)c1,YKJIBMZKTJSKAS-UHFFFAOYSA-N
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| 36723 |
+
rxn:4:209753:226155,CC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)cc(C2CC2)c1,ZLONITGMCJYCBH-UHFFFAOYSA-N
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| 36724 |
+
rxn:4:210242:225499,Cc1nc2cc(-c3ccc(C4CCCCC4)cc3F)cc([N+](=O)[O-])c2o1,AXTGJDNGLHZGFH-UHFFFAOYSA-N
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| 36725 |
+
rxn:4:215960:224331,Cc1cc(N2CCN(C)CC2)c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1[N+](=O)[O-],ZNCZYFCTQBDQTQ-UHFFFAOYSA-N
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| 36726 |
+
rxn:4:217340:224251,CC1CCCN(C(=O)c2ccc(-c3cc([N+](=O)[O-])cc4nc[nH]c34)c(F)c2)C1,TVVYSGZCPBFXKP-UHFFFAOYSA-N
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| 36727 |
+
rxn:4:224372:206000,O=C(c1cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc([N+](=O)[O-])c1)N1CCCC1,OLDCRBACQKOJIX-UHFFFAOYSA-N
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| 36728 |
+
rxn:4:227893:185754,CN(C)Cc1cccc(-c2cncc(OC(C(F)(F)F)C(F)(F)F)c2)c1,XTZVUMLBBSMUHC-UHFFFAOYSA-N
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