smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCOc1ccc2c(c1)CCc1[nH+]ccn1-2	ZINC000095594528	185014171	/nfs/dbraw/zinc/01/41/71/185014171.db2.gz	CCONZSTZWHMHEM-UHFFFAOYSA-N	1	1	284.403	4.320	1	30		CIEFMO
CC(=O)C1=CC[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1	ZINC000095567594	185010610	/nfs/dbraw/zinc/01/06/10/185010610.db2.gz	HUZAQLCAMIVZMB-HXUWFJFHSA-N	1	1	291.394	4.149	3	30		CIEFMO
Cc1cc(NN=Cc2cccc(Cl)c2)c2ccccc2[nH+]1	ZINC000045323331	175359797	/nfs/dbraw/zinc/35/97/97/175359797.db2.gz	IWXISXQWRUPNFR-YBFXNURJSA-N	1	1	295.773	4.065	1	30		CIEFMO
CC(=O)C1=CC[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1	ZINC000095567595	185010507	/nfs/dbraw/zinc/01/05/07/185010507.db2.gz	HUZAQLCAMIVZMB-FQEVSTJZSA-N	1	1	291.394	4.149	3	30		CIEFMO
CCCCCCCCC[N@H+]1CCc2cc(O)c(O)cc2C1	ZINC000044031666	175139009	/nfs/dbraw/zinc/13/90/09/175139009.db2.gz	BKWNLXFZRJHKGS-UHFFFAOYSA-N	1	1	291.435	4.207	1	30		CIEFMO
Cc1cc(NN=Cc2ccc(Cl)cc2)c2ccccc2[nH+]1	ZINC000045192016	175326641	/nfs/dbraw/zinc/32/66/41/175326641.db2.gz	GLYVVFUNLMAVJG-YBFXNURJSA-N	1	1	295.773	4.065	1	30		CIEFMO
C=CCCC[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C	ZINC000042966964	174931141	/nfs/dbraw/zinc/93/11/41/174931141.db2.gz	DMXZTOVVKCCWQX-INIZCTEOSA-N	1	1	254.377	4.053	1	30		CIEFMO
C=CCCC[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C	ZINC000042966964	174931143	/nfs/dbraw/zinc/93/11/43/174931143.db2.gz	DMXZTOVVKCCWQX-INIZCTEOSA-N	1	1	254.377	4.053	1	30		CIEFMO
C=CCOc1cccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3	ZINC000045391368	175374611	/nfs/dbraw/zinc/37/46/11/175374611.db2.gz	PPQOXJFDECRPBT-QGZVFWFLSA-N	1	1	291.394	4.004	1	30	in-vitro	CIEFMO
Cc1cc(NN=Cc2ccccc2Cl)c2ccccc2[nH+]1	ZINC000045302276	175355157	/nfs/dbraw/zinc/35/51/57/175355157.db2.gz	PKPULEKRFGPHPM-YBFXNURJSA-N	1	1	295.773	4.065	1	30		CIEFMO
C#CC[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1	ZINC000038879496	174158829	/nfs/dbraw/zinc/15/88/29/174158829.db2.gz	HZFMMDJCSVKFBX-UHFFFAOYSA-N	1	1	285.390	4.475	1	30		CIEFMO