ESSENCEDock_595Project / Sanitized /Actives /actives_table_NRAM_sanitized.csv
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SMILES,Molecule Name,Target Name,Type
CCN(CC)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O,CHEMBL344548_active,NRAM,Active
C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@](C)(CCC)OC,CHEMBL400553_active,NRAM,Active
CC[C@@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,CHEMBL81286_active,NRAM,Active
CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)C(F)(F)F,CHEMBL350298_active,NRAM,Active
C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H]1CCC=CCO1,CHEMBL251786_active,NRAM,Active
CCN(CC)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL1161284_active,NRAM,Active
CCC(CC)O[C@H]1C=C(C(=O)O)C[C@H](NC(=N)N)[C@@H]1NC(C)=O,CHEMBL81717_active,NRAM,Active
CCC(C)O[C@H]1C=C(C(=O)O)C[C@H](NC(=N)N)[C@@H]1NC(C)=O,CHEMBL311059_active,NRAM,Active
CC(=O)N[C@H]1C([C@@H](O)[C@@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N,CHEMBL278874_active,NRAM,Active
C=C[C@H](OC)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C,CHEMBL254679_active,NRAM,Active
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O,CHEMBL147283_active,NRAM,Active
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL1161290_active,NRAM,Active
C=CC[C@H](OC)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C,CHEMBL254884_active,NRAM,Active
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)CC,CHEMBL349042_active,NRAM,Active
CC(=O)NC1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)C(O)CO,CHEMBL193303_active,NRAM,Active
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,CHEMBL1229_active,NRAM,Active
CCC(CC)[C@H](NC(C)=O)[C@@H]1C[C@@H](C(=O)O)C[C@H]1N=C(N)N,CHEMBL136111_active,NRAM,Active
CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N,CHEMBL139367_active,NRAM,Active
CCN(CC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@@H]1NC(C)=O,CHEMBL98262_active,NRAM,Active
C=CC[C@H](CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,CHEMBL311288_active,NRAM,Active
CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,CHEMBL315261_active,NRAM,Active
CCCCCCC[C@H](CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,CHEMBL310004_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(O)O)O[C@H]1C(O)[C@H](O)CO,CHEMBL348207_active,NRAM,Active
C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@](C)(O)CCC,CHEMBL251787_active,NRAM,Active
C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CCC,CHEMBL253410_active,NRAM,Active
CCC(CC)C(NC(C)=O)[C@@H]1[C@@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N,CHEMBL332608_active,NRAM,Active
C=CC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C,CHEMBL253625_active,NRAM,Active
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL73669_active,NRAM,Active
CCCN(CCc1cccc(-c2ccccc2)c1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL352318_active,NRAM,Active
CCCN(CCc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL98906_active,NRAM,Active
CCC(C)O[C@H]1C=C(C(=O)O)C[C@H](N)[C@@H]1NC(C)=O,CHEMBL309192_active,NRAM,Active
C=C[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C,CHEMBL399060_active,NRAM,Active
CC(=O)Nc1ccc(C(=O)O)cc1NC(=N)N,CHEMBL55440_active,NRAM,Active
C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CC,CHEMBL253839_active,NRAM,Active
C=CC[C@@H](CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,CHEMBL81777_active,NRAM,Active
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)C(F)(F)F,CHEMBL348066_active,NRAM,Active
CCCN(CCc1cccc(O)c1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL167253_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2CCCCC2)C=C(C(=O)O)C[C@@H]1N,CHEMBL23009_active,NRAM,Active
CCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL317571_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N1C(C)CCC1C,CHEMBL163966_active,NRAM,Active
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O,CHEMBL318452_active,NRAM,Active
CC(=O)NC(C(=O)O)[C@@H]1CCC(=C2SCCCS2)C1,CHEMBL57348_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2CCCCCC2)C=C(C(=O)O)C[C@@H]1N,CHEMBL278852_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2CCCCC[C@@H]2CO)C=C(C(=O)O)C[C@@H]1N,CHEMBL25549_active,NRAM,Active
C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@H]1CC=CCO1,CHEMBL254885_active,NRAM,Active
CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,CHEMBL79499_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2CCCCCCC2)C=C(C(=O)O)C[C@@H]1N,CHEMBL22350_active,NRAM,Active
CCN(CC)C(=O)C(NC(C)=O)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL301435_active,NRAM,Active
CC[C@@H](CC1CCCCC1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,CHEMBL430814_active,NRAM,Active
CCCN(CCCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL352694_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1OC1CCCC1,CHEMBL54479_active,NRAM,Active
C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H]1CC=CCO1,CHEMBL400552_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2C3CCCC2CC3)C=C(C(=O)O)C[C@@H]1N,CHEMBL22808_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2CCCC2)C=C(C(=O)O)C[C@@H]1N,CHEMBL280383_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2CCOCC2)C=C(C(=O)O)C[C@@H]1N,CHEMBL22803_active,NRAM,Active
CCCC1CCN([C@@H]2C=C(C(=O)O)C[C@H](N)[C@H]2NC(C)=O)CC1,CHEMBL22943_active,NRAM,Active
CC(=O)NC(C(=O)N1CCOCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL292853_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2CCCCCCCC2)C=C(C(=O)O)C[C@@H]1N,CHEMBL423292_active,NRAM,Active
CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1cc[nH]n1,CHEMBL362993_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N(CCc1ccccc1)C1CC1,CHEMBL442774_active,NRAM,Active
CCC(CC)Nc1cc(C(=O)O)ccc1N1C(=O)CCC1(CO)CO,CHEMBL307189_active,NRAM,Active
CCCCC(NC(C)=O)[C@@H]1CC(C(=O)O)C[C@H]1N=C(N)N,CHEMBL119140_active,NRAM,Active
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)C1CC1,CHEMBL350474_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2CCC(C)CC2)C=C(C(=O)O)C[C@@H]1N,CHEMBL25495_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N1C(C)CCN1C,CHEMBL1161504_active,NRAM,Active
CCC1CCN([C@@H]2C=C(C(=O)O)C[C@H](N)[C@H]2NC(C)=O)CC1,CHEMBL25333_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1OC1CCCCC1,CHEMBL51955_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1OCCCc1ccc(-c2ccccc2)cc1,CHEMBL81083_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N2CCC2)C=C(C(=O)O)C[C@@H]1N,CHEMBL406252_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N(C)CCc2ccccc2)C=C(C(=O)O)C[C@@H]1N,CHEMBL113191_active,NRAM,Active
CC(=O)N[C@H]1[C@@H](C(=O)N2C(C)CCC2C)OC(C(=O)O)=C[C@@H]1N,CHEMBL436250_active,NRAM,Active
CC(=O)NC(C(=O)N1CCCCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL57800_active,NRAM,Active
CCCC1CCCCN1C(=O)C(NC(C)=O)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL301233_active,NRAM,Active
CCC1CCCCN1C(=O)C(NC(C)=O)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL294169_active,NRAM,Active
CC(=O)N[C@H]1[C@H](N(C)C2CCCCC2)C=C(C(=O)O)C[C@@H]1N,CHEMBL320788_active,NRAM,Active
CCCN(CC1CC1)C(=O)C(NC(C)=O)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL292393_active,NRAM,Active
CC(=O)NC(C(=O)N1CCSCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL411601_active,NRAM,Active
CC(=O)NC(C(=O)NC(C)CCc1ccccc1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL418456_active,NRAM,Active
CC(=O)NC(C(=O)N1CCCCC1C)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL294700_active,NRAM,Active
CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1ccon1,CHEMBL365976_active,NRAM,Active
CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1ccno1,CHEMBL190819_active,NRAM,Active
CCC1(CC)CN([C@@H]2C=C(C(=O)O)C[C@H](N)[C@H]2NC(C)=O)C1,CHEMBL22349_active,NRAM,Active
CCCN(CCc1ccc(Cc2ccccc2)cc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL167936_active,NRAM,Active
CCC1CCC(CC)N1C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O,CHEMBL168147_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N1CCCC1C,CHEMBL164976_active,NRAM,Active
CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1nccs1,CHEMBL373336_active,NRAM,Active
CCCCc1nnc([C@@H]2OC(C(=O)O)=C[C@H](N)[C@H]2NC(C)=O)n1CCC,CHEMBL70936_active,NRAM,Active
CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1cscn1,CHEMBL426810_active,NRAM,Active
CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1ncc[nH]1,CHEMBL195288_active,NRAM,Active
COC(=O)[C@@H]1C[C@H](C(=O)O)O[C@H]1[C@H](CC(C)C)NC(C)=O,CHEMBL183817_active,NRAM,Active
CC(=O)NC(C(=O)N1CCCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL441790_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1Oc1ccccc1,CHEMBL298659_active,NRAM,Active
CC(=O)N[C@@H](CC(C)C)[C@@H]1O[C@@H](C(=O)O)C[C@H]1c1c[nH]cn1,CHEMBL182628_active,NRAM,Active
CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1c[nH]cn1,CHEMBL195871_active,NRAM,Active
CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1OCc1ccccc1,CHEMBL310217_active,NRAM,Active
CCN(Cc1ccccc1)C(=O)C(NC(C)=O)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL56700_active,NRAM,Active
CC(=O)NC(C(=O)N1CCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL294427_active,NRAM,Active
CC(=O)NC(C(=O)N1CCCCCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N,CHEMBL293591_active,NRAM,Active