smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCC(CC[NH3+])([N+](=O)[O-])[N+](=O)[O-]	19319401	571774402	/nfs/dbraw/zinc/77/44/02/571774402.db2.gz	OSNPEFJDXXHJQD-UHFFFAOYSA-N	2	0	192.175	-1.066	10	5		AABERP
C[N+](C)([NH3+])CCC(N)=O	34477875	572084695	/nfs/dbraw/zinc/08/46/95/572084695.db2.gz	FPRPJZHHMAMWQL-UHFFFAOYSA-O	2	0	132.187	-1.188	10	5		AABERP
C[N+](C)([NH3+])CCOCC[N+](C)(C)[NH3+]	3176092	171009547	/nfs/dbraw/zinc/00/95/47/171009547.db2.gz	ZNJFJXHVMSJLFA-UHFFFAOYSA-N	4	0	192.307	-1.097	10	5		AABERP
C[N+](C)([NH3+])CCO	3874370	171010124	/nfs/dbraw/zinc/01/01/24/171010124.db2.gz	AJDKDFHZEYMLII-UHFFFAOYSA-N	2	0	105.161	-1.071	10	5		AABERP
C[N+](C)([NH3+])CC[N+](C)(C)[NH3+]	5377540	717099297	/nfs/dbraw/zinc/09/92/97/717099297.db2.gz	XFDHTRCMGOLWMR-UHFFFAOYSA-N	4	0	148.254	-1.113	10	5		AABERP
C[N+]1([NH3+])CC[N+](C)([NH3+])CC1	5377574	717099623	/nfs/dbraw/zinc/09/96/23/717099623.db2.gz	FPYFUIWOKVGWOJ-UHFFFAOYSA-N	4	0	146.238	-1.359	10	5		AABERP
[NH3+][N+]12CC[N+]([NH3+])(CC1)CC2	5282962	717099648	/nfs/dbraw/zinc/09/96/48/717099648.db2.gz	ISRURAFHAKEKFP-UHFFFAOYSA-N	4	0	144.222	-1.605	10	5		AABERP
C[N+](CC[NH3+])(CC[NH3+])CC[NH3+]	140050269	717152098	/nfs/dbraw/zinc/15/20/98/717152098.db2.gz	IKAYUGXBQDAWFM-UHFFFAOYSA-N	4	0	161.273	-1.691	10	5		AABERP