smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]CC(C)(C)C[NH+](C)C)CC3)cc2)c(C)c1	ZINC000011787595	132339859	/nfs/dbraw/zinc/33/98/59/132339859.db2.gz	CGFLOUSWFLMKLU-UHFFFAOYSA-N	2	0	436.644	4.702	10	0		IJAERP
COc1cc(CCc2cc[n+](C)cc2)ccc1Oc1ccc(CCc2cc[n+](C)cc2)cc1	ZINC000038526495	556613083	/nfs/dbraw/zinc/61/30/83/556613083.db2.gz	RFVHVCOCVBNECA-UHFFFAOYSA-N	2	0	440.587	4.707	10	0		IJAERP
C[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000012135950	523417411	/nfs/dbraw/zinc/41/74/11/523417411.db2.gz	AUYCLXZSPZHTRD-AREMUKBSSA-N	2	0	443.591	4.766	10	0		IJAERP
CC[NH+](CC)CCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4C)cc3)CC[C@@H]21	ZINC000012053472	556393161	/nfs/dbraw/zinc/39/31/61/556393161.db2.gz	VWPQVPDAUZFNDZ-VPUSJEBWSA-N	2	0	433.640	4.817	10	0		IJAERP
FC(F)Oc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012281579	527695576	/nfs/dbraw/zinc/69/55/76/527695576.db2.gz	WWQACGJAYFQNEY-IBGZPJMESA-N	2	0	448.583	4.646	10	0		IJAERP
Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1	ZINC000014996859	557839536	/nfs/dbraw/zinc/83/95/36/557839536.db2.gz	TUPMYXZYXCIMOX-HHHXNRCGSA-N	2	0	434.603	4.823	10	0		IJAERP
Brc1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)c(Br)c1	ZINC000013736450	556297737	/nfs/dbraw/zinc/29/77/37/556297737.db2.gz	JEMLCRKWFFTSTM-UHFFFAOYSA-N	2	0	428.168	4.561	10	0		IJAERP
COCC[N@@H+](Cc1ccc2cccc(F)c2n1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000055245359	569300123	/nfs/dbraw/zinc/30/01/23/569300123.db2.gz	CSARVOSPTFWIOH-UHFFFAOYSA-N	2	0	439.550	4.874	10	0		IJAERP
FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012281578	527695807	/nfs/dbraw/zinc/69/58/07/527695807.db2.gz	WWQACGJAYFQNEY-LJQANCHMSA-N	2	0	448.583	4.646	10	0		IJAERP
C[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000012135948	523419132	/nfs/dbraw/zinc/41/91/32/523419132.db2.gz	AUYCLXZSPZHTRD-SANMLTNESA-N	2	0	443.591	4.766	10	0		IJAERP
COCC[N@@H+](Cc1ccnc2ccccc12)CC1CC[NH+](Cc2ccccc2OC)CC1	ZINC000055168664	556737009	/nfs/dbraw/zinc/73/70/09/556737009.db2.gz	NKHMXODPVAZABT-UHFFFAOYSA-N	2	0	433.596	4.604	10	0		IJAERP
Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1	ZINC000014996856	557839485	/nfs/dbraw/zinc/83/94/85/557839485.db2.gz	TUPMYXZYXCIMOX-MHZLTWQESA-N	2	0	434.603	4.823	10	0		IJAERP