smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nonc1C(=NO)N1CC[NH+](CCO)CC1	ZINC000252643322	373953758	/nfs/dbraw/zinc/95/37/58/373953758.db2.gz	ZUFPEKRAPJJQJR-UHFFFAOYSA-N	1	2	256.266	-1.603	50	30		CAEALO
Cn1c(NCC[NH+]2CCOCC2)c(C#N)c(=O)n(C)c1=O	ZINC000022373816	171385864	/nfs/dbraw/zinc/38/58/64/171385864.db2.gz	FWLCBROQQZSYCS-UHFFFAOYSA-N	1	2	293.327	-1.300	50	30		CAEALO
OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C/[NH+]=C\c1ccccc1	ZINC000257357085	545569222	/nfs/dbraw/zinc/56/92/22/545569222.db2.gz	LWSXGQQNCAIWST-WCORDHCISA-N	1	2	269.297	-1.459	50	30		CAEALO
C=CCNC(=O)C[N@H+]1CCN(C(C)=O)C[C@H](O)C1	ZINC001506420314	893930497	/nfs/dbraw/zinc/93/04/97/893930497.db2.gz	BVQLAPQXZYHACR-LLVKDONJSA-N	1	2	255.318	-1.186	50	30		CAEALO
C=CCNC(=O)C[N@@H+]1CCN(C(C)=O)C[C@H](O)C1	ZINC001506420314	893930508	/nfs/dbraw/zinc/93/05/08/893930508.db2.gz	BVQLAPQXZYHACR-LLVKDONJSA-N	1	2	255.318	-1.186	50	30		CAEALO
C=CCNC(=O)C[N@H+]1CCN(C(C)=O)C[C@@H](O)C1	ZINC001506420315	893932303	/nfs/dbraw/zinc/93/23/03/893932303.db2.gz	BVQLAPQXZYHACR-NSHDSACASA-N	1	2	255.318	-1.186	50	30		CAEALO
C=CCNC(=O)C[N@@H+]1CCN(C(C)=O)C[C@@H](O)C1	ZINC001506420315	893932310	/nfs/dbraw/zinc/93/23/10/893932310.db2.gz	BVQLAPQXZYHACR-NSHDSACASA-N	1	2	255.318	-1.186	50	30		CAEALO
Nc1nonc1/C(=N/O)N1CC[NH+](CCO)CC1	ZINC000013131038	372802021	/nfs/dbraw/zinc/80/20/21/372802021.db2.gz	ZUFPEKRAPJJQJR-LUAWRHEFSA-N	1	2	256.266	-1.603	50	30		CAEALO
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C/[NH+]=C/c1ccccc1	ZINC000101921982	545625014	/nfs/dbraw/zinc/62/50/14/545625014.db2.gz	LWSXGQQNCAIWST-GSCZUXJLSA-N	1	2	269.297	-1.459	50	30		CAEALO
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C/[NH+]=C\c1ccccc1	ZINC000257357083	545569459	/nfs/dbraw/zinc/56/94/59/545569459.db2.gz	LWSXGQQNCAIWST-KOIQEOJFSA-N	1	2	269.297	-1.459	50	30		CAEALO
NC(=O)[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@H]1C(N)=O	ZINC000252533010	303299314	/nfs/dbraw/zinc/29/93/14/303299314.db2.gz	FRNTWDSBRJMRNV-RYUDHWBXSA-N	1	2	278.356	-1.111	50	30		CAEALO
NC(=O)[C@@H]1CCCN1CC#CC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000252533010	303299313	/nfs/dbraw/zinc/29/93/13/303299313.db2.gz	FRNTWDSBRJMRNV-RYUDHWBXSA-N	1	2	278.356	-1.111	50	30		CAEALO
NC(=O)[C@H]1CCCN1CC#CC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000225573672	303329634	/nfs/dbraw/zinc/32/96/34/303329634.db2.gz	FRNTWDSBRJMRNV-VXGBXAGGSA-N	1	2	278.356	-1.111	50	30		CAEALO
NC(=O)[C@H]1CCCN1CC#CC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000225573672	303329637	/nfs/dbraw/zinc/32/96/37/303329637.db2.gz	FRNTWDSBRJMRNV-VXGBXAGGSA-N	1	2	278.356	-1.111	50	30		CAEALO
OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C/[NH+]=C/c1ccccc1	ZINC000257357084	545569552	/nfs/dbraw/zinc/56/95/52/545569552.db2.gz	LWSXGQQNCAIWST-NMNQMRJYSA-N	1	2	269.297	-1.459	50	30		CAEALO
COCC[N@@H+]1C[C@@]2([N+](=O)[O-])CNC(=O)[C@@]([N+](=O)[O-])(C1)C2	ZINC000169680419	373756572	/nfs/dbraw/zinc/75/65/72/373756572.db2.gz	SFBJAKAIBGMKPN-UWVGGRQHSA-N	1	2	288.260	-1.501	50	30		CAEALO
COCC[N@H+]1C[C@@]2([N+](=O)[O-])CNC(=O)[C@@]([N+](=O)[O-])(C1)C2	ZINC000169680419	373756580	/nfs/dbraw/zinc/75/65/80/373756580.db2.gz	SFBJAKAIBGMKPN-UWVGGRQHSA-N	1	2	288.260	-1.501	50	30		CAEALO