smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)C1CC[NH+](C)CC1	ZINC000922443462	1199789456	/nfs/dbraw/zinc/78/94/56/1199789456.db2.gz	BXZOOJPGOBZFON-JLYLLQBASA-N	1	3	389.544	0.809	10	30		GCEEHO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000261933786	638497763	/nfs/dbraw/zinc/49/77/63/638497763.db2.gz	BZQDEQRDLLNUFL-LSDHHAIUSA-N	1	3	391.607	0.259	10	30		GCEEHO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000261933785	638692791	/nfs/dbraw/zinc/69/27/91/638692791.db2.gz	BZQDEQRDLLNUFL-HUUCEWRRSA-N	1	3	391.607	0.259	10	30		GCEEHO
C[NH+]=C(NCCN(C)C1CCCCC1)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261712524	1193756810	/nfs/dbraw/zinc/75/68/10/1193756810.db2.gz	KDUURBZKFAJNFL-UHFFFAOYSA-N	1	3	375.521	0.909	10	30		GCEEHO
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC)(N3CCOCC3)CC2)CC1	ZINC000636677413	1192259557	/nfs/dbraw/zinc/25/95/57/1192259557.db2.gz	UFHRBKRTZSOKID-UHFFFAOYSA-N	1	3	392.544	0.856	10	30		GCEEHO
C#CCN1CCC(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1	ZINC000772134024	1202175374	/nfs/dbraw/zinc/17/53/74/1202175374.db2.gz	QDKHXWRYWPLWIV-SFHVURJKSA-N	1	3	379.501	0.348	10	30		GCEEHO
C#CCN1CCC(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1	ZINC000772134024	1202175375	/nfs/dbraw/zinc/17/53/75/1202175375.db2.gz	QDKHXWRYWPLWIV-SFHVURJKSA-N	1	3	379.501	0.348	10	30		GCEEHO
C#CCN1CCC(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1	ZINC000772134021	1202175096	/nfs/dbraw/zinc/17/50/96/1202175096.db2.gz	QDKHXWRYWPLWIV-GOSISDBHSA-N	1	3	379.501	0.348	10	30		GCEEHO
C#CCN1CCC(C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1	ZINC000772134021	1202175097	/nfs/dbraw/zinc/17/50/97/1202175097.db2.gz	QDKHXWRYWPLWIV-GOSISDBHSA-N	1	3	379.501	0.348	10	30		GCEEHO
C(#CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)CN1CCC[C@@H]1CN1CCOCC1	ZINC000366952020	1195990490	/nfs/dbraw/zinc/99/04/90/1195990490.db2.gz	NKFZLOHDWKVYHS-FGZHOGPDSA-N	1	3	390.572	0.583	10	30		GCEEHO
C(#CC[N@H+]1CCC[C@@H]1CN1CCOCC1)CN1CCC[C@@H]1CN1CCOCC1	ZINC000366952020	1195990491	/nfs/dbraw/zinc/99/04/91/1195990491.db2.gz	NKFZLOHDWKVYHS-FGZHOGPDSA-N	1	3	390.572	0.583	10	30		GCEEHO
C=CCN1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1	ZINC000583582097	1186892126	/nfs/dbraw/zinc/89/21/26/1186892126.db2.gz	UIJJWEFUCQPHTH-UHFFFAOYSA-N	1	3	387.484	0.505	10	30		GCEEHO