smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2	ZINC000014731442	519288267	/nfs/dbraw/zinc/28/82/67/519288267.db2.gz	FANZHAYKMCZEJO-GOSISDBHSA-N	2	2	477.531	3.002	50	30		JGEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2	ZINC000014747039	519289986	/nfs/dbraw/zinc/28/99/86/519289986.db2.gz	HIQJRNVSQIVDMA-IBGZPJMESA-N	2	2	461.532	3.123	50	30		JGEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH+]1CCC(Cc3ccccc3)CC1)C2	ZINC000014749680	519286512	/nfs/dbraw/zinc/28/65/12/519286512.db2.gz	YJIXDFGOARLZAB-XMMPIXPASA-N	2	2	461.654	3.269	50	30		JGEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2	ZINC000096851290	569743449	/nfs/dbraw/zinc/74/34/49/569743449.db2.gz	DBXUOFHTINJTEI-IBGZPJMESA-N	2	2	479.522	3.262	50	30		JGEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2	ZINC000014731444	519290056	/nfs/dbraw/zinc/29/00/56/519290056.db2.gz	FANZHAYKMCZEJO-SFHVURJKSA-N	2	2	477.531	3.002	50	30		JGEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2	ZINC000096851291	569743517	/nfs/dbraw/zinc/74/35/17/569743517.db2.gz	DBXUOFHTINJTEI-LJQANCHMSA-N	2	2	479.522	3.262	50	30		JGEALP
C[NH+]1CCN(C(=S)SCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)CC1	ZINC000020438935	523884465	/nfs/dbraw/zinc/88/44/65/523884465.db2.gz	JWHMCBYPSFNVEO-UHFFFAOYSA-N	2	2	485.704	3.382	50	30		JGEALP
C[NH+]1CCN(C(=S)SCC(=O)Nc2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)CC1	ZINC000020438935	523884468	/nfs/dbraw/zinc/88/44/68/523884468.db2.gz	JWHMCBYPSFNVEO-UHFFFAOYSA-N	2	2	485.704	3.382	50	30		JGEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2	ZINC000014747038	519289135	/nfs/dbraw/zinc/28/91/35/519289135.db2.gz	HIQJRNVSQIVDMA-LJQANCHMSA-N	2	2	461.532	3.123	50	30		JGEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C2	ZINC000014733589	519288232	/nfs/dbraw/zinc/28/82/32/519288232.db2.gz	HURCVOZJDNBGIS-GOSISDBHSA-N	2	2	461.532	3.123	50	30		JGEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH+]1CCC(Cc3ccccc3)CC1)C2	ZINC000014749681	519289595	/nfs/dbraw/zinc/28/95/95/519289595.db2.gz	YJIXDFGOARLZAB-DEOSSOPVSA-N	2	2	461.654	3.269	50	30		JGEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C2	ZINC000014733590	519289860	/nfs/dbraw/zinc/28/98/60/519289860.db2.gz	HURCVOZJDNBGIS-SFHVURJKSA-N	2	2	461.532	3.123	50	30		JGEALP
COc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2C[N@H+](Cc2cccc(C#N)c2)CC3)cc1	ZINC000034755942	569656209	/nfs/dbraw/zinc/65/62/09/569656209.db2.gz	XFXZNVKHKJOMST-UHFFFAOYSA-N	2	2	470.577	3.459	50	30		JGEALP
COc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2C[N@@H+](Cc2cccc(C#N)c2)CC3)cc1	ZINC000034755942	569656210	/nfs/dbraw/zinc/65/62/10/569656210.db2.gz	XFXZNVKHKJOMST-UHFFFAOYSA-N	2	2	470.577	3.459	50	30		JGEALP