smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@](C)(O)CN1CCC[C@H](CNS(N)(=O)=O)C1	ZINC000161011894	207392442	/nfs/dbraw/zinc/39/24/42/207392442.db2.gz	QVRGVDFJFNRJHR-GHMZBOCLSA-N	0	3	279.406	-0.348	10	70		CBIEHN
COC(=O)[C@@H]1CCCCN1C(=O)COC1(C)CNC1	ZINC000161117978	351973557	/nfs/dbraw/zinc/97/35/57/351973557.db2.gz	RBJPHNOFJQFJSS-JTQLQIEISA-N	0	3	270.329	-0.081	10	70		CBIEHN
CC[C@](C)(O)CN1CCC[C@H](CNS(N)(=O)=O)C1	ZINC000161011764	207391906	/nfs/dbraw/zinc/39/19/06/207391906.db2.gz	QVRGVDFJFNRJHR-MNOVXSKESA-N	0	3	279.406	-0.348	10	70		CBIEHN
CC[C@@](C)(O)CN1CCN(C(=O)CN(C)C)CC1	ZINC000160550802	287393630	/nfs/dbraw/zinc/39/36/30/287393630.db2.gz	MBHXDCITEJHASL-CYBMUJFWSA-N	0	3	257.378	-0.147	10	70		CBIEHN
Nc1nccnc1C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160386255	351970249	/nfs/dbraw/zinc/97/02/49/351970249.db2.gz	SPFCLTXZBCMAJG-JTQLQIEISA-N	0	3	279.344	-0.365	10	70		CBIEHN
CCC[C@H](C(=O)N1CCN(CCO)CC1)N(C)C	ZINC000161493765	351975048	/nfs/dbraw/zinc/97/50/48/351975048.db2.gz	SDUQEWQGDZRJOB-GFCCVEGCSA-N	0	3	257.378	-0.147	10	70		CBIEHN
Nc1nccnc1C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160386389	351970598	/nfs/dbraw/zinc/97/05/98/351970598.db2.gz	SPFCLTXZBCMAJG-SNVBAGLBSA-N	0	3	279.344	-0.365	10	70		CBIEHN
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCO[C@H](CO)C1	ZINC000160703658	351971580	/nfs/dbraw/zinc/97/15/80/351971580.db2.gz	VYHDAUOLZJBUHZ-OHTBPHCPSA-N	0	3	298.383	-0.261	10	70		CBIEHN
CN(C)C(=O)NCCNC(=O)C(C)(C)N1CCNCC1	ZINC000160847434	351972765	/nfs/dbraw/zinc/97/27/65/351972765.db2.gz	SGFWTDXPXYUBNQ-UHFFFAOYSA-N	0	3	285.392	-0.942	10	70		CBIEHN
CCC[C@@H](C(=O)N1CCN(CCO)CC1)N(C)C	ZINC000161493665	351974752	/nfs/dbraw/zinc/97/47/52/351974752.db2.gz	SDUQEWQGDZRJOB-LBPRGKRZSA-N	0	3	257.378	-0.147	10	70		CBIEHN
CC[C@](C)(O)CN1CCN(C(=O)CN(C)C)CC1	ZINC000160550676	372816968	/nfs/dbraw/zinc/81/69/68/372816968.db2.gz	MBHXDCITEJHASL-ZDUSSCGKSA-N	0	3	257.378	-0.147	10	70		CBIEHN