smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073160567	717133821	/nfs/dbraw/zinc/13/38/21/717133821.db2.gz	OZXJKDPJLLASGG-GFDKVKMOSA-N	2	2	461.670	5.173	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)[NH+]1CCCCC1	ZINC000073196512	717134105	/nfs/dbraw/zinc/13/41/05/717134105.db2.gz	YHGPEGHFOGAKHM-JRZMRVHDSA-N	2	2	483.698	5.071	1	5		JKBFLP
CC[NH+]1CCC[C@@H]([NH2+]Cc2c3ccccc3c(C[NH2+][C@@H]3CCC[N@@H+](CC)C3)c3ccccc32)C1	ZINC000022863812	563017347	/nfs/dbraw/zinc/01/73/47/563017347.db2.gz	MNKRQQBDUQTENM-DNQXCXABSA-N	4	2	458.694	5.141	1	5		JKBFLP
CC[NH+]1CCC[C@@H]([NH2+]Cc2c3ccccc3c(C[NH2+][C@@H]3CCC[N@H+](CC)C3)c3ccccc32)C1	ZINC000022863812	563017348	/nfs/dbraw/zinc/01/73/48/563017348.db2.gz	MNKRQQBDUQTENM-DNQXCXABSA-N	4	2	458.694	5.141	1	5		JKBFLP
CCN1CCC[C@@H]([NH2+]Cc2c3ccccc3c(C[NH2+][C@@H]3CCC[N@H+](CC)C3)c3ccccc32)C1	ZINC000022863812	563017351	/nfs/dbraw/zinc/01/73/51/563017351.db2.gz	MNKRQQBDUQTENM-DNQXCXABSA-N	3	2	458.694	5.141	1	5		JKBFLP
CCN1CCC[C@@H]([NH2+]Cc2c3ccccc3c(C[NH2+][C@@H]3CCC[N@@H+](CC)C3)c3ccccc32)C1	ZINC000022863812	563017352	/nfs/dbraw/zinc/01/73/52/563017352.db2.gz	MNKRQQBDUQTENM-DNQXCXABSA-N	3	2	458.694	5.141	1	5		JKBFLP
Cc1ccc2nc(C[N+]34CCC(CC3)[C@@H](OC(=O)[C@](C)(c3ccccc3)[NH+]3CCCCC3)C4)oc2c1	ZINC000068197056	717133091	/nfs/dbraw/zinc/13/30/91/717133091.db2.gz	BTNKJHBSKAVDTH-WMBYLGNXSA-N	2	2	488.652	5.190	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCC3CCCCC3)CCC1CC2)(c1cccs1)[NH+]1CCCCC1	ZINC000073160563	717133790	/nfs/dbraw/zinc/13/37/90/717133790.db2.gz	RKSCZVHQYFYRQE-FXIXRJGSSA-N	2	2	459.720	5.572	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccc(Cl)c3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073195756	717134442	/nfs/dbraw/zinc/13/44/42/717134442.db2.gz	DYNJLEKGXRTDOQ-NNMXADRKSA-N	2	2	482.088	5.436	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cc4ccccc4o3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073161799	717134453	/nfs/dbraw/zinc/13/44/53/717134453.db2.gz	IINAHPOQUFMJIU-PMTRCUQQSA-N	2	2	487.664	5.529	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCOc3ccc(Cl)cc3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073164232	717134127	/nfs/dbraw/zinc/13/41/27/717134127.db2.gz	MKXOEYWYQYOBEQ-BNAAVTMESA-N	2	2	498.087	5.272	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1cccs1)[NH+]1CCCCC1	ZINC000073165929	717134379	/nfs/dbraw/zinc/13/43/79/717134379.db2.gz	ABIVXWKXMJCZMZ-LQXXZEARSA-N	2	2	481.726	5.624	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccc(F)cc3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073196895	717134432	/nfs/dbraw/zinc/13/44/32/717134432.db2.gz	MOQMSSOYEONBHV-SXBWKGCASA-N	2	2	495.659	5.148	1	5		JKBFLP
O=[N+]([O-])c1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1	ZINC000029566688	563107468	/nfs/dbraw/zinc/10/74/68/563107468.db2.gz	KKLUKFFNRHRUTD-UHFFFAOYSA-N	2	2	473.552	5.251	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000084544657	717135779	/nfs/dbraw/zinc/13/57/79/717135779.db2.gz	RVXKMYHNDBHDLD-SHZVQYQYSA-N	2	2	477.669	5.009	1	5		JKBFLP
C[C@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000084544658	717135841	/nfs/dbraw/zinc/13/58/41/717135841.db2.gz	RVXKMYHNDBHDLD-ZOGAMXBRSA-N	2	2	477.669	5.009	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc4ccccc4c3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073196715	717134286	/nfs/dbraw/zinc/13/42/86/717134286.db2.gz	VLWKCPPUBKYCEF-BQTUONFDSA-N	2	2	497.703	5.936	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073166996	717134368	/nfs/dbraw/zinc/13/43/68/717134368.db2.gz	JKZTXAFKMWAXLC-QKZQWPARSA-N	2	2	475.697	5.563	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3c[nH]c4ccccc34)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073161802	717134435	/nfs/dbraw/zinc/13/44/35/717134435.db2.gz	WGOSBZASWNBYTQ-UCMBYLDGSA-N	2	2	486.680	5.264	1	5		JKBFLP
Cc1ccc(CC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)[NH+]2CCCCC2)C3)s1	ZINC000073196144	717134446	/nfs/dbraw/zinc/13/44/46/717134446.db2.gz	DMTORAWXSSNLOO-TWWVWNITSA-N	2	2	467.699	5.153	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)[NH+]1CCCCC1	ZINC000073160564	717133682	/nfs/dbraw/zinc/13/36/82/717133682.db2.gz	ZDMIIYGPOIOKNJ-NNRFIJQCSA-N	2	2	467.699	5.234	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc(Cl)s3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073196085	717134339	/nfs/dbraw/zinc/13/43/39/717134339.db2.gz	KYZXOVOTLUIFDM-IPGWDNQVSA-N	2	2	488.117	5.498	1	5		JKBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccc(Cl)c3)CCC1CC2)(c1cccs1)[NH+]1CCCCC1	ZINC000043196328	563168366	/nfs/dbraw/zinc/16/83/66/563168366.db2.gz	HUYMQVAQICPEIT-XRFQPOIASA-N	2	2	488.117	5.498	1	5		JKBFLP