smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc2oc(Cc3ccccc3)cc2c1C[NH+]1CCC(O)CC1	ZINC000103262347	204070649	/nfs/dbraw/zinc/07/06/49/204070649.db2.gz	LOZLXXRVMRXAQK-UHFFFAOYSA-N	1	0	337.419	3.686	1	10		EHCFRO
CSc1nn(-c2ccc(N)cc2)c2cc(C3=CC[NH2+]CC3)ccc21	ZINC000072178115	203181896	/nfs/dbraw/zinc/18/18/96/203181896.db2.gz	FWXOAZAZUWTCQQ-UHFFFAOYSA-N	1	0	336.464	3.706	1	10		EHCFRO
COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@@H]3C[N@H+](C)CC2	ZINC000028108127	202165049	/nfs/dbraw/zinc/16/50/49/202165049.db2.gz	SMWRVQMZVOVXSA-AWEZNQCLSA-N	1	0	342.414	3.566	1	10		EHCFRO
C[C@H](COc1ccc2c(c1)oc1c2C(=O)c2ccccc2C1=O)[NH+](C)C	ZINC000028713984	202175941	/nfs/dbraw/zinc/17/59/41/202175941.db2.gz	HTJRAEYDZNBECV-GFCCVEGCSA-N	1	0	349.386	3.537	1	10		EHCFRO
CC[NH+](CC)CCNc1cccc2c1C(=O)c1cccc3c1c-2nn3C	ZINC000028758510	202177115	/nfs/dbraw/zinc/17/71/15/202177115.db2.gz	LJEAVKPBODZPMV-UHFFFAOYSA-N	1	0	348.450	3.538	1	10		EHCFRO
CC[C@H]1C(=O)[n+]2c3ccccc3sc2N(CC2CCCCC2)C1=O	ZINC000101336231	204004922	/nfs/dbraw/zinc/00/49/22/204004922.db2.gz	DSAFEZWPXHHTBJ-CQSZACIVSA-N	1	0	343.472	3.782	1	10		EHCFRO
CC1(C)C[C@@]2(C[N@H+](Cc3ccc(N)cc3)CCO2)c2ccccc2O1	ZINC000035079534	202287059	/nfs/dbraw/zinc/28/70/59/202287059.db2.gz	SONFQCBNQQMLEZ-OAQYLSRUSA-N	1	0	338.451	3.558	1	10		EHCFRO
CC1(C)C[C@]2(C[N@H+](Cc3ccc(N)cc3)CCO2)c2ccccc2O1	ZINC000035079535	213007034	/nfs/dbraw/zinc/00/70/34/213007034.db2.gz	SONFQCBNQQMLEZ-NRFANRHFSA-N	1	0	338.451	3.558	1	10		EHCFRO
Oc1ccc2oc(Cc3ccccc3)cc2c1C[N@H+]1CCC[C@@H](O)C1	ZINC000103262344	219279178	/nfs/dbraw/zinc/27/91/78/219279178.db2.gz	VPTGOCFZLJQIOT-MRXNPFEDSA-N	1	0	337.419	3.686	1	10		EHCFRO
Oc1ccc2oc(Cc3ccccc3)cc2c1C[N@H+]1CCC[C@H](O)C1	ZINC000103262342	219279274	/nfs/dbraw/zinc/27/92/74/219279274.db2.gz	VPTGOCFZLJQIOT-INIZCTEOSA-N	1	0	337.419	3.686	1	10		EHCFRO
C[N@@H+]1CCCN(c2nc3c(c4ccccc42)C(=O)c2ccccc2-3)CC1	ZINC000066079462	215008102	/nfs/dbraw/zinc/00/81/02/215008102.db2.gz	ZZQVDMATRWQNJM-UHFFFAOYSA-N	1	0	343.430	3.588	1	10		EHCFRO
CCN(CC)C(=O)c1ccc(/C=C/c2c[nH]c3ccccc23)[n+](C)c1	ZINC000004181392	210140918	/nfs/dbraw/zinc/14/09/18/210140918.db2.gz	IJMGRQRIHGVZPB-UHFFFAOYSA-O	1	0	334.443	3.645	3	10		EHCFRO
CC[NH+](CC)CCNc1ccc2c3c(nn2C)-c2ccccc2C(=O)c31	ZINC000028758053	212634807	/nfs/dbraw/zinc/63/48/07/212634807.db2.gz	YYNQKHYPRQAFNU-UHFFFAOYSA-N	1	0	348.450	3.538	1	10		EHCFRO
C[n+]1cc(C(=O)N2CCCCC2)ccc1/C=C/c1c[nH]c2ccccc12	ZINC000004181311	210140433	/nfs/dbraw/zinc/14/04/33/210140433.db2.gz	RBGGXWZHTJIADV-UHFFFAOYSA-O	1	0	346.454	3.789	3	10		EHCFRO
[NH3+]CCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000028639753	212628362	/nfs/dbraw/zinc/62/83/62/212628362.db2.gz	FDRCPKDOFXMKBN-UHFFFAOYSA-N	1	0	346.430	3.732	1	10		EHCFRO
CCCOc1cc2c3c(c1)-c1c(O)c(O)ccc1C[C@H]3N(C)CC2	ZINC000040877998	213395648	/nfs/dbraw/zinc/39/56/48/213395648.db2.gz	BCZNYILKVXTJOI-MRXNPFEDSA-N	1	0	325.408	3.639	1	10		EHCFRO
CC(C)(C)c1cc(I)c(O)c(C[N+](C)(C)C)c1	ZINC000040514502	213330472	/nfs/dbraw/zinc/33/04/72/213330472.db2.gz	CNYIHFFSQOMZAQ-UHFFFAOYSA-O	1	0	348.248	3.501	1	10		EHCFRO
CC[N@@H+]1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074307	215006942	/nfs/dbraw/zinc/00/69/42/215006942.db2.gz	XPFXYWKICZQNES-MRXNPFEDSA-N	1	0	343.398	3.588	1	10		EHCFRO
O=[N+]([O-])c1nccn1CCNc1c2ccccc2[nH+]c2ccccc21	ZINC000003776962	210075537	/nfs/dbraw/zinc/07/55/37/210075537.db2.gz	FOPLVLLZUWYEIW-UHFFFAOYSA-N	1	0	333.351	3.605	1	10		EHCFRO
C[NH+]1CCN([C@@H]2Cc3ccc(F)cc3Sc3ccc(O)cc32)CC1	ZINC000022859650	212329943	/nfs/dbraw/zinc/32/99/43/212329943.db2.gz	IHOYNYISJIXRQB-QGZVFWFLSA-N	1	0	344.455	3.527	1	10		EHCFRO
C[NH+]1CCN([C@H]2Cc3ccc(F)cc3Sc3ccc(O)cc32)CC1	ZINC000022859656	212329007	/nfs/dbraw/zinc/32/90/07/212329007.db2.gz	IHOYNYISJIXRQB-KRWDZBQOSA-N	1	0	344.455	3.527	1	10		EHCFRO
c1ccc(C[N@@H+]2CC[C@@H]3C[C@H]2c2ccc(N4CCOCC4)cc23)cc1	ZINC000104158926	219354464	/nfs/dbraw/zinc/35/44/64/219354464.db2.gz	OTAPEGBXOAAYTQ-GCJKJVERSA-N	1	0	334.463	3.958	1	10		EHCFRO
CC[C@@H]1C(=O)[n+]2c3ccccc3sc2N(CC2CCCCC2)C1=O	ZINC000101336228	219122112	/nfs/dbraw/zinc/12/21/12/219122112.db2.gz	DSAFEZWPXHHTBJ-AWEZNQCLSA-N	1	0	343.472	3.782	1	10		EHCFRO