smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(#Cc1ccc(C#CC[N+]2(Cc3ccccc3)CCOCC2)cc1)C[N+]1(Cc2ccccc2)CCOCC1	ZINC000009348690	553244799	/nfs/dbraw/zinc/24/47/99/553244799.db2.gz	NLYIJCKLXXHVNT-UHFFFAOYSA-N	2	0	506.690	4.484	50	30		KIEARP
CC(C)CCN(CCC(C)C)C(=O)C[N+]12CC[N+](CC(=O)N(CCC(C)C)CCC(C)C)(CC1)CC2	ZINC000013131532	553451445	/nfs/dbraw/zinc/45/14/45/553451445.db2.gz	RNYLDDRTTCIBHA-UHFFFAOYSA-N	2	0	508.836	4.489	50	30		KIEARP
C=CC[N+]1([C@H]2C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000027549004	553833587	/nfs/dbraw/zinc/83/35/87/553833587.db2.gz	YXRDKMPIGHSVRX-SEGNAXJPSA-N	2	0	529.786	4.408	50	30		KIEARP
C=CC[N+]1([C@H]2C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000027549012	553833583	/nfs/dbraw/zinc/83/35/83/553833583.db2.gz	YXRDKMPIGHSVRX-RSJUVZJGSA-N	2	0	529.786	4.408	50	30		KIEARP
C=CC[N+]1([C@H]2C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000043910263	554300378	/nfs/dbraw/zinc/30/03/78/554300378.db2.gz	YXRDKMPIGHSVRX-WISUEFEWSA-N	2	0	529.786	4.408	50	30		KIEARP
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000053229445	554330111	/nfs/dbraw/zinc/33/01/11/554330111.db2.gz	YXRDKMPIGHSVRX-OOJCLDBCSA-N	2	0	529.786	4.408	50	30	fda	KIEARP
C(#Cc1ccccc1)C[N+]1(CC#Cc2ccc(C#CC[N+]3(CC#Cc4ccccc4)CCOCC3)cc2)CCOCC1	ZINC000097996152	554038372	/nfs/dbraw/zinc/03/83/72/554038372.db2.gz	TUQIKVFNPOXTSA-UHFFFAOYSA-N	2	0	554.734	4.187	50	30		KIEARP
CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1	ZINC000100055843	554196224	/nfs/dbraw/zinc/19/62/24/554196224.db2.gz	BIERDUFAYVSUIK-JVWAILMASA-N	2	0	575.692	4.004	50	30		KIEARP
C=CC[N+]1([C@H]2C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000253528252	572297860	/nfs/dbraw/zinc/29/78/60/572297860.db2.gz	YXRDKMPIGHSVRX-XYBQFQDXSA-N	2	0	529.786	4.408	50	30		KIEARP