smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4CC(C)C)C[C@H]2[N@@H+](C)C1	ZINC000029487602	202188328	/nfs/dbraw/zinc/18/83/28/202188328.db2.gz	XVMWFBHUQPZHDJ-HHXXYDBFSA-N	1	1	340.467	3.430	1	10		EGCFMO
CN1CCC[N@@H+](CCn2ccc3ccc(-c4cccnc4)cc32)CC1	ZINC000022940022	202096206	/nfs/dbraw/zinc/09/62/06/202096206.db2.gz	RFMMLQOWCBUYON-UHFFFAOYSA-N	1	1	334.467	3.341	1	10		EGCFMO
C[N@@H+]1CCCN(CCn2ccc3ccc(-c4cccnc4)cc32)CC1	ZINC000022940022	202096207	/nfs/dbraw/zinc/09/62/07/202096207.db2.gz	RFMMLQOWCBUYON-UHFFFAOYSA-N	1	1	334.467	3.341	1	10		EGCFMO
C[N@H+]1CCCN(CCn2ccc3ccc(-c4cccnc4)cc32)CC1	ZINC000022940022	202096211	/nfs/dbraw/zinc/09/62/11/202096211.db2.gz	RFMMLQOWCBUYON-UHFFFAOYSA-N	1	1	334.467	3.341	1	10		EGCFMO
Cc1cc(C)c(O)c(CN2CCN(C(C)C)CC[N@H+](C(C)C)CC2)c1	ZINC000019365658	202005730	/nfs/dbraw/zinc/00/57/30/202005730.db2.gz	FTKZZHSDJJJMRC-UHFFFAOYSA-N	1	1	347.547	3.245	1	10		EGCFMO
Cc1cc(C)c(O)c(CN2CCN(C(C)C)CC[N@@H+](C(C)C)CC2)c1	ZINC000019365658	202005733	/nfs/dbraw/zinc/00/57/33/202005733.db2.gz	FTKZZHSDJJJMRC-UHFFFAOYSA-N	1	1	347.547	3.245	1	10		EGCFMO
CCCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OC)C[N@@H+](C)[C@@H]1C2	ZINC000040374415	213293045	/nfs/dbraw/zinc/29/30/45/213293045.db2.gz	OPSLFUQVYYSYDA-YXJHDRRASA-N	1	1	326.440	3.184	1	10		EGCFMO
COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4CC(C)C)C[C@@H]2[N@@H+](C)C1	ZINC000169312472	533547024	/nfs/dbraw/zinc/54/70/24/533547024.db2.gz	XVMWFBHUQPZHDJ-WDYCEAGBSA-N	1	1	340.467	3.430	1	10		EGCFMO
CCCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OC)C[N@@H+](C)[C@@H]1C2	ZINC000040374412	213293311	/nfs/dbraw/zinc/29/33/11/213293311.db2.gz	OPSLFUQVYYSYDA-QILLFSRXSA-N	1	1	326.440	3.184	1	10		EGCFMO
CCC1C(=O)[n+]2c3ccccc3sc2N(CC2CCCC2)C1=O	ZINC000101348947	219123440	/nfs/dbraw/zinc/12/34/40/219123440.db2.gz	KCHMXUWJBJGRSL-ZDUSSCGKSA-N	1	1	329.445	3.392	1	10		EGCFMO
CCC1C(=O)[n+]2c3ccccc3sc2N(CC2CCCC2)C1=O	ZINC000101348951	219123265	/nfs/dbraw/zinc/12/32/65/219123265.db2.gz	KCHMXUWJBJGRSL-CYBMUJFWSA-N	1	1	329.445	3.392	1	10		EGCFMO
CCOc1ccc2c(c1)sc1[n+]2C(=O)C(CC)C(=O)N1CC1CC1	ZINC000100971740	204000288	/nfs/dbraw/zinc/00/02/88/204000288.db2.gz	UFAXABPZNIVOPU-ZDUSSCGKSA-N	1	1	345.444	3.011	1	10		EGCFMO
CCCn1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)OC)C[N@@H+](C)[C@@H]1C2	ZINC000029484136	202188295	/nfs/dbraw/zinc/18/82/95/202188295.db2.gz	OPSLFUQVYYSYDA-UWWQBHOKSA-N	1	1	326.440	3.184	1	10		EGCFMO
COc1cc2c(ccc3c4c(c(O)c(OC)c32)C[N@H+](C)CC4)cc1O	ZINC000003644903	201054944	/nfs/dbraw/zinc/05/49/44/201054944.db2.gz	QOWFEPGZJDCIKG-UHFFFAOYSA-N	1	1	339.391	3.409	1	10	endogenous,in-man	EGCFMO
CCCC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2[N@@H+](C)C1	ZINC000103297444	204072998	/nfs/dbraw/zinc/07/29/98/204072998.db2.gz	IFHQKKXJNWFYHA-POZUXBRTSA-N	1	1	339.483	3.055	1	10		EGCFMO
CC[NH+](CC)Cc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O	ZINC000026672759	202147059	/nfs/dbraw/zinc/14/70/59/202147059.db2.gz	QWLIKFWCIBHHIP-UHFFFAOYSA-N	1	1	339.391	3.018	1	10		EGCFMO
Clc1cc(N=NN2CCCC2)cc(Cl)c1NC1=[NH+]CCN1	ZINC000100688216	219104226	/nfs/dbraw/zinc/10/42/26/219104226.db2.gz	WJMFHCMXFVRNLY-FMQUCBEESA-N	1	1	327.219	3.459	1	10		EGCFMO
C[N@@H+]1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074309	215006310	/nfs/dbraw/zinc/00/63/10/215006310.db2.gz	MMZBXOUZUBNDST-OAHLLOKOSA-N	1	1	329.371	3.198	1	10		EGCFMO
C[N@H+]1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074309	215006312	/nfs/dbraw/zinc/00/63/12/215006312.db2.gz	MMZBXOUZUBNDST-OAHLLOKOSA-N	1	1	329.371	3.198	1	10		EGCFMO
CCOc1ccc2c(c1)sc1[n+]2C(=O)C(CC)C(=O)N1CC1CC1	ZINC000100971747	219112540	/nfs/dbraw/zinc/11/25/40/219112540.db2.gz	UFAXABPZNIVOPU-CYBMUJFWSA-N	1	1	345.444	3.011	1	10		EGCFMO
CCC1C(=O)[n+]2c3cc(C)c(C)cc3sc2N(CC2CC2)C1=O	ZINC000100974883	219113133	/nfs/dbraw/zinc/11/31/33/219113133.db2.gz	GMPNUHPEJBLTLS-ZDUSSCGKSA-N	1	1	329.445	3.229	1	10		EGCFMO
CCCCCC(O)=CC(=O)CCc1cc(C[NH2+]C)c(O)c(OC)c1	ZINC000085627200	560068800	/nfs/dbraw/zinc/06/88/00/560068800.db2.gz	GJJJOQOTMBDIPP-UHFFFAOYSA-N	1	1	335.444	3.161	1	10	biogenic,in-vitro	EGCFMO
CCC1C(=O)[n+]2c3cc(C)c(C)cc3sc2N(CC2CC2)C1=O	ZINC000100974888	219113005	/nfs/dbraw/zinc/11/30/05/219113005.db2.gz	GMPNUHPEJBLTLS-CYBMUJFWSA-N	1	1	329.445	3.229	1	10		EGCFMO