smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+]([NH3+])(CC)CCCO	238322720	573235516	/nfs/dbraw/zinc/23/55/16/573235516.db2.gz	WGRUJSCTCCZQSR-UHFFFAOYSA-N	2	0	147.242	0.099	10	5		ACBERP
C[C@H](CCC[NH3+])[N+](C)(C)C	238419091	573505501	/nfs/dbraw/zinc/50/55/01/573505501.db2.gz	CRIQDNDMHWJKLP-MRVPVSSYSA-N	2	0	145.270	0.820	10	5		ACBERP
CC(C)OC(=O)CCN[N+](C)(C)C	382694509	571941705	/nfs/dbraw/zinc/94/17/05/571941705.db2.gz	KFZLQGIKBXNDFN-UHFFFAOYSA-N	2	0	189.279	0.539	10	5		ACBERP
C[N+](C)(C)C[C@@H]1CCC[NH2+]1	34588871	572098200	/nfs/dbraw/zinc/09/82/00/572098200.db2.gz	FFMPONWPWSWZHW-QMMMGPOBSA-N	2	0	143.254	0.445	10	5		ACBERP
CC(C)([NH3+])C[N+]1(C)CCOCC1	118253437	573391203	/nfs/dbraw/zinc/39/12/03/573391203.db2.gz	PTLLJZSDELBNJF-UHFFFAOYSA-N	2	0	173.280	0.201	10	5		ACBERP
[NH3+]Cc1ccc([N+](=O)[O-])cc1C[NH3+]	44249113	169223205	/nfs/dbraw/zinc/22/32/05/169223205.db2.gz	XECYKVIRLWJOFE-UHFFFAOYSA-N	2	0	181.195	0.512	10	5		ACBERP
[NH3+]Cc1cccc([N+](=O)[O-])c1C[NH3+]	44248785	169224989	/nfs/dbraw/zinc/22/49/89/169224989.db2.gz	FKCODRXBYHYTMG-UHFFFAOYSA-N	2	0	181.195	0.512	10	5		ACBERP
[NH3+]CC[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1	35855031	343139629	/nfs/dbraw/zinc/13/96/29/343139629.db2.gz	IGGOTZCFWUJUED-SECBINFHSA-N	2	0	195.222	0.943	10	5		ACBERP
[NH3+]CC[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1	35855033	343139794	/nfs/dbraw/zinc/13/97/94/343139794.db2.gz	IGGOTZCFWUJUED-VIFPVBQESA-N	2	0	195.222	0.943	10	5		ACBERP
CCCN(CC)CC[N+](C)(C)[NH3+]	38611751	343189812	/nfs/dbraw/zinc/18/98/12/343189812.db2.gz	XQBWNRMUGYGZLM-UHFFFAOYSA-N	2	0	174.312	0.668	10	5		ACBERP
C[N+](C)(C)CC[NH+]1CCCC1	2526441	717094648	/nfs/dbraw/zinc/09/46/48/717094648.db2.gz	IBACTZCWOOXIFF-UHFFFAOYSA-N	2	0	157.281	0.788	10	5		ACBERP
CC[N+]([NH3+])(CC)CC	5337591	717099499	/nfs/dbraw/zinc/09/94/99/717099499.db2.gz	BBVRYTBXVFBTAH-UHFFFAOYSA-N	2	0	117.216	0.737	10	5		ACBERP
C[N+]1([NH3+])CCCCC1	5377564	717099510	/nfs/dbraw/zinc/09/95/10/717099510.db2.gz	WVBOBQXAPLIVOV-UHFFFAOYSA-N	2	0	115.200	0.491	10	5		ACBERP
C[N+](C)(C)CCCCC[NH3+]	14649250	717110598	/nfs/dbraw/zinc/11/05/98/717110598.db2.gz	ZIRAJXHWKZCSAU-UHFFFAOYSA-N	2	0	145.270	0.822	10	5		ACBERP
C[C@@H]([NH3+])C[N+](C)(C)C	59710137	717131409	/nfs/dbraw/zinc/13/14/09/717131409.db2.gz	KIGGBCQQPRWPPJ-ZCFIWIBFSA-N	2	0	117.216	0.040	10	5		ACBERP
C[C@H]([NH3+])C[N+](C)(C)C	59710136	717131474	/nfs/dbraw/zinc/13/14/74/717131474.db2.gz	KIGGBCQQPRWPPJ-LURJTMIESA-N	2	0	117.216	0.040	10	5		ACBERP
C[NH2+]CCC[N+](C)(C)C	59879029	717131825	/nfs/dbraw/zinc/13/18/25/717131825.db2.gz	PKECDGYPCXFENP-UHFFFAOYSA-N	2	0	131.243	0.302	10	5		ACBERP
C[N+]1(CCC[NH3+])CCCCC1	115330191	717149812	/nfs/dbraw/zinc/14/98/12/717149812.db2.gz	YXMNQCXWVIFUAF-UHFFFAOYSA-N	2	0	157.281	0.966	10	5		ACBERP
C[N+](C)(C)C[C@H]1CCC[NH2+]1	138866417	717152052	/nfs/dbraw/zinc/15/20/52/717152052.db2.gz	FFMPONWPWSWZHW-MRVPVSSYSA-N	2	0	143.254	0.445	10	5		ACBERP
CC(C)([NH3+])C[N+](C)(C)C	145551533	717153238	/nfs/dbraw/zinc/15/32/38/717153238.db2.gz	SNZKBDRHWFLYQQ-UHFFFAOYSA-N	2	0	131.243	0.430	10	5		ACBERP
C[N+](C)(C)CC[C@H]1CCC[NH2+]1	238484585	717161837	/nfs/dbraw/zinc/16/18/37/717161837.db2.gz	FZTNBBYRTDTJRC-SECBINFHSA-N	2	0	157.281	0.835	10	5		ACBERP
CC(C)([NH3+])CC[N+](C)(C)C	144600005	573669143	/nfs/dbraw/zinc/66/91/43/573669143.db2.gz	XVIAAVIKQZRCLG-UHFFFAOYSA-N	2	0	145.270	0.820	10	5		ACBERP