smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCC[C@H]([NH3+])C(=O)N1CCCCC1	ZINC000013561254	181322491	/nfs/dbraw/zinc/32/24/91/181322491.db2.gz	QKNZZHHRLYHBSF-QMMMGPOBSA-N	2	1	227.312	-1.010	10	30		BAEEMP
C#CCNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1	ZINC000071150209	188220442	/nfs/dbraw/zinc/22/04/42/188220442.db2.gz	DGNVMONEIHVXCV-UHFFFAOYSA-N	2	1	238.335	-1.427	10	30		BAEEMP
C#CCNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1	ZINC000071150209	188220440	/nfs/dbraw/zinc/22/04/40/188220440.db2.gz	DGNVMONEIHVXCV-UHFFFAOYSA-N	2	1	238.335	-1.427	10	30		BAEEMP
C[NH+](C)C(C)(C)CNC(=[NH2+])NC(N)=[NH2+]	ZINC000215924387	371659709	/nfs/dbraw/zinc/65/97/09/371659709.db2.gz	AFMNJALWRFCKKQ-UHFFFAOYSA-N	3	1	200.290	-1.085	10	30		BAEEMP
CN1CC[N@@H+](C)C[C@@H]1CN/C(N)=[NH+]/O	ZINC000225372524	350360362	/nfs/dbraw/zinc/36/03/62/350360362.db2.gz	VGIQAFAEOAFKDS-ZETCQYMHSA-N	2	1	201.274	-1.474	10	30		BAEEMP
N/C(=[NH+]\O)N1CCC[N@@H+](CCO)CC1	ZINC000227380122	371849418	/nfs/dbraw/zinc/84/94/18/371849418.db2.gz	MIQJZTUOMCJFDL-UHFFFAOYSA-N	2	1	202.258	-1.310	10	30		BAEEMP
N[NH+]=C(N)N1CCC[N@@H+](CCO)CC1	ZINC000227384390	344137940	/nfs/dbraw/zinc/13/79/40/344137940.db2.gz	IBFCQFQSKREEFZ-UHFFFAOYSA-N	2	1	201.274	-1.825	10	30		BAEEMP
N[NH+]=C(N)NCC[NH+]1CCC(O)CC1	ZINC000306492632	360220266	/nfs/dbraw/zinc/22/02/66/360220266.db2.gz	XTQRBIYAYAUDOP-UHFFFAOYSA-N	2	1	201.274	-1.779	10	30		BAEEMP