Added 22 molecules from epoch 19120 for P31652

P31652_molecules.csv

@@ -50698,3 +50698,25 @@ rxn:4:221193:223734,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccc(OCc5ccc(C(C)(C)C)cc5)cc4)c
 rxn:4:221535:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)CC1,PGACOMLULGVQJV-DUYHBEBVSA-N
 rxn:4:223830:174517,CCCCCC1CCC(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(CC)CC4)c3)cc2)CC1,MBNMGOCTPLWAFG-UHFFFAOYSA-N
 rxn:5:190200:226395:225607,CC(c1ccc(-c2cc(CN(C)C3CCOCC3)cc(-c3cncc(N4CCCCC4)c3)c2)s1)N1CCCCC1,GZABCGCGCFYORL-UHFFFAOYSA-N
+rxn:4:173603:222624,COC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(C)C(=O)OC)cc12,CMGGGOHBFZNNGS-UHFFFAOYSA-N
+rxn:4:173616:223753,Cc1ccc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)c2ccco2)cc1OCCCN1CCN(C)CC1,OPRYIAFXWDGNPO-UHFFFAOYSA-N
+rxn:4:174521:222542,Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(S(C)(=O)=O)cc3)c2)cc1OCCCN1CCNCC1,KMMPTKUSDNAJPU-UHFFFAOYSA-N
+rxn:4:187364:224424,CCCC1CCC(c2ccc(-c3cc(CN(C)C4CCOCC4)cc(OC)c3)cc2)CC1,DTDXQSXFKWIKIB-UHFFFAOYSA-N
+rxn:4:190497:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCC(C)C4)cc(C(C)(C)C)c3)c(F)c2)CC1,KRYCJTOMQRMHDZ-BREVFBKUSA-N
+rxn:4:200779:222615,CC(C)Cc1cc(-c2ccc(CN3CCN(CC=Cc4ccccc4)CC3)cc2)cc(C2CCNCC2)c1,GMENOIAZHLQPGH-UHFFFAOYSA-N
+rxn:4:200882:223798,CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1cccc(-c3ccc(COc4cccc(C(F)(F)F)c4)cc3)c1)C2,YXYJWXVLPANTFK-UHFFFAOYSA-N
+rxn:4:201150:222958,Cc1ccc(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cc1C1CCNCC1,GUMDOPVSGHQXGU-UHFFFAOYSA-N
+rxn:4:203991:223728,CCCCCC1CCC(c2ccc(-c3cccc(CN4CCN(C(C)C)CC4)c3)c(F)c2)CC1,XUGAVDBBYWUXNW-UHFFFAOYSA-N
+rxn:4:212751:224054,CC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,QVQZFKUOVOGCGE-UHFFFAOYSA-N
+rxn:4:212839:224558,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Oc5cccc(OC)c5)cc4)ccn23)CC1,BBNSXTIOLQDPBJ-UHFFFAOYSA-N
+rxn:4:212839:225061,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCC(C)CC5)cc4F)ccn23)CC1,WIQKMUMPOCWLPW-UHFFFAOYSA-N
+rxn:4:212839:227209,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc5c(c4)OC(C)(C)O5)ccn23)CC1,KQVAEPOWOIHWAT-UHFFFAOYSA-N
+rxn:4:212839:227925,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OC(C)C)c4)ccn23)CC1,RKCCJGDQMBIBRI-UHFFFAOYSA-N
+rxn:4:212843:226880,CN1CCN(c2ccc(-c3cc(F)c(F)c(C(F)(F)F)c3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,CIOICIOBGWVZEO-MUUNZHRXSA-N
+rxn:4:214057:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCC4)c3)cc2)CC1,YZJUJFRPJAEONE-MCZWQBSQSA-N
+rxn:4:214338:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc4c3n(C)c(=O)n4C3CCC(=O)N(Cc4ccc(OC)cc4)C3=O)cc2)CC1,MJCZDAGRCAILNE-LVSLSUPGSA-N
+rxn:4:215990:223743,Cc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1OCCCN1CCC(C)CC1,JLGYGACORHNAKF-UHFFFAOYSA-N
+rxn:4:219453:224846,CCC1CCC(c2ccc(-c3cnn(CC4CN(C5CCN(C(C)C)C5=O)C4)c3)cc2)CC1,VCADENWMHIRBCF-UHFFFAOYSA-N
+rxn:4:219569:224430,CCC(C)Oc1ccc2cc(-c3cc([N+](=O)[O-])c(OC)cc3N3CCC(N4CCN(C)CC4)CC3)ccc2c1,TZCXHRSMDKYIER-UHFFFAOYSA-N
+rxn:4:221522:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(Cn5cnc6cc(OC)ccc6c5=O)CC4)nc3)cc2)CC1,SVPCSWASGKEWOD-FBSWEULCSA-N
+rxn:5:190200:226061:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C(C)C)cc(C3CC3)c2)c1,UBSQMJVUICLPJD-UHFFFAOYSA-N