smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+](CC=C)Cc1cc(O)c(C[NH+](CC=C)CC=C)cc1O	ZINC000004018735	207107070	/nfs/dbraw/zinc/10/70/70/207107070.db2.gz	ROENDVUHWVKPEA-UHFFFAOYSA-N	2	0	328.456	3.446	50	30		EGEARP
CC(C)Oc1ccc(/C=[NH+]/CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013774709	453488030	/nfs/dbraw/zinc/48/80/30/453488030.db2.gz	CLJGDQRPOPPOBX-IGBVKEFNSA-N	2	0	332.488	3.374	50	30		EGEARP
C[NH+](C)C[C@@H]1COCCN(Cc2ccccc2C#Cc2ccccc2)C1	ZINC000072161220	258015481	/nfs/dbraw/zinc/01/54/81/258015481.db2.gz	WQPGPQIREYWDKV-NRFANRHFSA-N	2	0	348.490	3.096	50	30		EGEARP
C=CCn1c(SCc2cncn2C(C)C)nnc1C1CC[NH2+]CC1	ZINC000426715797	457883164	/nfs/dbraw/zinc/88/31/64/457883164.db2.gz	BBIJWXCWPDKMCI-UHFFFAOYSA-N	2	0	346.504	3.001	50	30		EGEARP
C=CCc1cc(CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc(OCC)c1OC	ZINC000823358229	1320172246	/nfs/dbraw/zinc/17/22/46/1320172246.db2.gz	KUXJUSDCNVRGNO-QGFMHUBQSA-N	2	0	342.483	3.005	50	30		EGEARP
C=CC[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1	ZINC000095520041	454226743	/nfs/dbraw/zinc/22/67/43/454226743.db2.gz	USLGSIDOVTVDGE-HXUWFJFHSA-N	2	0	346.515	3.309	50	30		EGEARP
CC(C)Oc1ccc(/C=[NH+]/CC[C@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000002286913	452692498	/nfs/dbraw/zinc/69/24/98/452692498.db2.gz	CLJGDQRPOPPOBX-WQQQIIBJSA-N	2	0	332.488	3.374	50	30		EGEARP
C=CCOc1ccccc1C[N@H+]1CCC[C@@H](N(C)CCC[NH+](C)C)C1	ZINC000020998748	212197274	/nfs/dbraw/zinc/19/72/74/212197274.db2.gz	GDTGNXLPEKRPND-HXUWFJFHSA-N	2	0	345.531	3.099	50	30		EGEARP
CC(C)Oc1ccc(/C=[NH+]/CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004815139	519778268	/nfs/dbraw/zinc/77/82/68/519778268.db2.gz	CLJGDQRPOPPOBX-XOTUFCPGSA-N	2	0	332.488	3.374	50	30		EGEARP
C[NH+](C)C[C@H]1COCCN(Cc2ccccc2C#Cc2ccccc2)C1	ZINC000072161219	258015525	/nfs/dbraw/zinc/01/55/25/258015525.db2.gz	WQPGPQIREYWDKV-OAQYLSRUSA-N	2	0	348.490	3.096	50	30		EGEARP
C#CC[NH+]1CCC(NC[C@H](c2ccccc2)[NH+]2CCCCCC2)CC1	ZINC000820365061	1319877673	/nfs/dbraw/zinc/87/76/73/1319877673.db2.gz	HMQMRQKXCCFBTD-JOCHJYFZSA-N	2	0	339.527	3.291	50	30		EGEARP
C=CC[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1	ZINC000095520042	454226586	/nfs/dbraw/zinc/22/65/86/454226586.db2.gz	USLGSIDOVTVDGE-FQEVSTJZSA-N	2	0	346.515	3.309	50	30		EGEARP
CC(C)Oc1ccc(/C=[NH+]/CC[C@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004815140	519778228	/nfs/dbraw/zinc/77/82/28/519778228.db2.gz	CLJGDQRPOPPOBX-KMRLEGMCSA-N	2	0	332.488	3.374	50	30		EGEARP
C#CC[NH+]1CCC(NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)CC1	ZINC000820365062	1319877573	/nfs/dbraw/zinc/87/75/73/1319877573.db2.gz	HMQMRQKXCCFBTD-QFIPXVFZSA-N	2	0	339.527	3.291	50	30		EGEARP
Cn1cc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1C#N	ZINC000072457881	216244285	/nfs/dbraw/zinc/24/42/85/216244285.db2.gz	CTMVASCLSAVYQC-UHFFFAOYSA-N	2	0	336.483	3.241	50	30		EGEARP
C=CCOc1ccccc1C[N@H+]1CCC[C@H](N(C)CCC[NH+](C)C)C1	ZINC000020998750	212198339	/nfs/dbraw/zinc/19/83/39/212198339.db2.gz	GDTGNXLPEKRPND-FQEVSTJZSA-N	2	0	345.531	3.099	50	30		EGEARP