smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H]1CCCN1[C@H]1[C@@H](CNC2CC[NH+](C)CC2)O[C@@H](CO)[C@H]1O	ZINC000020465325	206331904	/nfs/dbraw/zinc/33/19/04/206331904.db2.gz	PJEWWGCZLSFARK-DFBDCSAJSA-N	1	3	357.495	-0.730	40	0	biogenic,in-vitro	FBABHO
COC[C@H]1CCCN1[C@H]1[C@@H](C[NH2+]C2CCN(C)CC2)O[C@@H](CO)[C@H]1O	ZINC000020465325	206331902	/nfs/dbraw/zinc/33/19/02/206331902.db2.gz	PJEWWGCZLSFARK-DFBDCSAJSA-N	1	3	357.495	-0.730	40	0	biogenic,in-vitro	FBABHO
CN(C)CCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CC[NH+](C)C)c3=O	ZINC000196956558	483589136	/nfs/dbraw/zinc/58/91/36/483589136.db2.gz	QLIAKGRUTLEYRA-UHFFFAOYSA-N	1	3	358.398	-0.964	40	0		FBABHO
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CC[NH+](C)CC3)[C@@H](O)[C@H]2O1	ZINC000225513261	484818221	/nfs/dbraw/zinc/81/82/21/484818221.db2.gz	HSNZWKMAEPQUFN-GRLWTPEZSA-N	1	3	355.479	-0.129	40	0	biogenic,in-vitro	FBABHO
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CC[NH+](C)CC3)[C@@H](O)[C@H]2O1	ZINC000225515823	484819883	/nfs/dbraw/zinc/81/98/83/484819883.db2.gz	LNEAGQICTPBRNN-GRLWTPEZSA-N	1	3	371.478	-0.891	40	0	biogenic,in-vitro	FBABHO
CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)C3([NH3+])CCCC3)C2)CC1	ZINC000257216018	484264304	/nfs/dbraw/zinc/26/43/04/484264304.db2.gz	CSSFLOUZWKUVDY-KRWDZBQOSA-N	1	3	352.479	-0.178	40	0		FBABHO
CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)C3([NH3+])CCCC3)C2)CC1	ZINC000257216019	526702599	/nfs/dbraw/zinc/70/25/99/526702599.db2.gz	CSSFLOUZWKUVDY-QGZVFWFLSA-N	1	3	352.479	-0.178	40	0		FBABHO
Cc1cn([C@@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@@]2(C)O)c(=O)[nH]c1=O	ZINC000257266051	534502791	/nfs/dbraw/zinc/50/27/91/534502791.db2.gz	MBJQRROGRPNQNJ-OGHNNQOOSA-N	1	3	367.450	-0.762	40	0		FBABHO
Cc1cn([C@@H]2CN(C(=O)[C@H](N)CCCC[NH3+])CC[C@@]2(C)O)c(=O)[nH]c1=O	ZINC000257266052	534501797	/nfs/dbraw/zinc/50/17/97/534501797.db2.gz	MBJQRROGRPNQNJ-PBFPGSCMSA-N	1	3	367.450	-0.762	40	0		FBABHO
CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)C3CC[NH2+]CC3)C2)CC1	ZINC000257342978	526702191	/nfs/dbraw/zinc/70/21/91/526702191.db2.gz	ZQVJPRPWTXTNER-GOSISDBHSA-N	1	3	352.479	-0.450	40	0		FBABHO
CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)C3CC[NH2+]CC3)C2)CC1	ZINC000257342979	526702267	/nfs/dbraw/zinc/70/22/67/526702267.db2.gz	ZQVJPRPWTXTNER-SFHVURJKSA-N	1	3	352.479	-0.450	40	0		FBABHO
CN(CC1CCN(C(=O)C2([NH3+])CCCC2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585287731	483830658	/nfs/dbraw/zinc/83/06/58/483830658.db2.gz	CUGIFSJGLBITLP-OAGGEKHMSA-N	1	3	355.479	-0.451	40	0		FBABHO
Cc1nn(C)cc1CN1CCC(C[N@@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585290971	483831431	/nfs/dbraw/zinc/83/14/31/483831431.db2.gz	JQMLJVOHZUEXLU-KURKYZTESA-N	1	3	352.479	-0.007	40	0		FBABHO
Cc1nn(C)cc1CN1CCC(C[N@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585290971	483831429	/nfs/dbraw/zinc/83/14/29/483831429.db2.gz	JQMLJVOHZUEXLU-KURKYZTESA-N	1	3	352.479	-0.007	40	0		FBABHO
Cc1c(CN2CCC(C[N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cnn1C	ZINC000585291706	483831376	/nfs/dbraw/zinc/83/13/76/483831376.db2.gz	RWTJNMAWNLXHPQ-KURKYZTESA-N	1	3	352.479	-0.007	40	0		FBABHO
Cc1c(CN2CCC(C[N@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cnn1C	ZINC000585291706	483831374	/nfs/dbraw/zinc/83/13/74/483831374.db2.gz	RWTJNMAWNLXHPQ-KURKYZTESA-N	1	3	352.479	-0.007	40	0		FBABHO
C[NH+]1CCC(NC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585292285	483831072	/nfs/dbraw/zinc/83/10/72/483831072.db2.gz	ZTJCCBNGDFFKJY-SJORKVTESA-N	1	3	369.487	-0.533	40	0		FBABHO
C[NH+]1CCC(NC[C@H]2O[C@@H]3C[C@@H](CC(=O)NC4CC4)O[C@@H]3[C@@H]2O)CC1	ZINC000604381645	483865597	/nfs/dbraw/zinc/86/55/97/483865597.db2.gz	JBVXPXWLFFTHMY-GRLWTPEZSA-N	1	3	353.463	-0.375	40	0	biogenic,in-vitro	FBABHO
CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CC[NH+](C)CC3)[C@@H](O)[C@H]2O1	ZINC000604381748	483865679	/nfs/dbraw/zinc/86/56/79/483865679.db2.gz	MOESDSRDHDIIQU-GRLWTPEZSA-N	1	3	355.479	-0.128	40	0	biogenic,in-vitro	FBABHO