smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1	ZINC000011911352	556672199	/nfs/dbraw/zinc/67/21/99/556672199.db2.gz	KVEOUFPIOYVCDD-LJQANCHMSA-N	2	1	430.593	4.192	10	0		IIAEMP
COc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1	ZINC000011911352	556672201	/nfs/dbraw/zinc/67/22/01/556672201.db2.gz	KVEOUFPIOYVCDD-LJQANCHMSA-N	2	1	430.593	4.192	10	0		IIAEMP
CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000013732935	556296359	/nfs/dbraw/zinc/29/63/59/556296359.db2.gz	LZXRJWPIEOERNT-UHFFFAOYSA-N	2	1	427.372	4.033	10	0		IIAEMP
COc1cc(C[NH2+]CCc2cccc3ccccc32)ccc1OC[C@H](O)C[N@@H+](C)C(C)C	ZINC000012092879	522456094	/nfs/dbraw/zinc/45/60/94/522456094.db2.gz	UZMZWEJXKKBLNW-XMMPIXPASA-N	2	1	436.596	4.261	10	0		IIAEMP
CCOc1cccc(C[NH2+]CCC[NH2+]CCO)c1OCc1ccc(Cl)cc1Cl	ZINC000013733342	556296803	/nfs/dbraw/zinc/29/68/03/556296803.db2.gz	ZEFWFKKXDYZUHA-UHFFFAOYSA-N	2	1	427.372	4.033	10	0		IIAEMP
COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000013732958	556296406	/nfs/dbraw/zinc/29/64/06/556296406.db2.gz	LSFIJHIXLBXQON-UHFFFAOYSA-N	2	1	447.790	4.296	10	0		IIAEMP
Cc1ccccc1-c1cccc([C@@H]2C[C@H]3CN(C4CC[NH+](C)CC4)C(=O)[C@]34CCC[N@H+]24)c1	ZINC000020777032	525005091	/nfs/dbraw/zinc/00/50/91/525005091.db2.gz	YISSVSLIFJOHJJ-WSHBGFIESA-N	2	1	429.608	4.494	10	0		IIAEMP
COc1cc(C[NH2+]CCc2cccc3ccccc32)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C	ZINC000012092875	522456522	/nfs/dbraw/zinc/45/65/22/522456522.db2.gz	UZMZWEJXKKBLNW-DEOSSOPVSA-N	2	1	436.596	4.261	10	0		IIAEMP
O=C(C[NH+]1CCCCCC1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1	ZINC000012318538	526739167	/nfs/dbraw/zinc/73/91/67/526739167.db2.gz	VRMBMOGMEKXZFY-DEOSSOPVSA-N	2	1	426.649	4.331	10	0		IIAEMP
COc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)ccc1C	ZINC000012054325	562980637	/nfs/dbraw/zinc/98/06/37/562980637.db2.gz	FMYZLZGLBFNFBR-NRFANRHFSA-N	2	1	441.591	4.059	10	0		IIAEMP
CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)ccc1OC	ZINC000012196215	520721724	/nfs/dbraw/zinc/72/17/24/520721724.db2.gz	BLWBVALYHBVRAN-XMMPIXPASA-N	2	1	442.575	4.205	10	0		IIAEMP
CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccccc1Cl	ZINC000013732938	556296380	/nfs/dbraw/zinc/29/63/80/556296380.db2.gz	FCWSFGCEQWKHLK-UHFFFAOYSA-N	2	1	427.372	4.033	10	0		IIAEMP
COc1ccc(OC)c(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1	ZINC000014882055	556454095	/nfs/dbraw/zinc/45/40/95/556454095.db2.gz	KLAVHVIBSAKYNH-IBGZPJMESA-N	2	1	442.629	4.061	10	0		IIAEMP
COc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1	ZINC000011911353	556672142	/nfs/dbraw/zinc/67/21/42/556672142.db2.gz	KVEOUFPIOYVCDD-IBGZPJMESA-N	2	1	430.593	4.192	10	0		IIAEMP
COc1ccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1	ZINC000011911353	556672144	/nfs/dbraw/zinc/67/21/44/556672144.db2.gz	KVEOUFPIOYVCDD-IBGZPJMESA-N	2	1	430.593	4.192	10	0		IIAEMP
O[C@H](COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1)C[N@H+]1CCc2ccccc2C1	ZINC000020452199	526288682	/nfs/dbraw/zinc/28/86/82/526288682.db2.gz	VNJYXCTXXDWZGL-SANMLTNESA-N	2	1	428.576	4.264	10	0		IIAEMP
CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)s1	ZINC000012099129	519716550	/nfs/dbraw/zinc/71/65/50/519716550.db2.gz	LSANGIBOEWPMHC-GOSISDBHSA-N	2	1	445.658	4.064	10	0		IIAEMP
COc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1	ZINC000014882054	556454161	/nfs/dbraw/zinc/45/41/61/556454161.db2.gz	KLAVHVIBSAKYNH-LJQANCHMSA-N	2	1	442.629	4.061	10	0		IIAEMP
COc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)ccc1C	ZINC000012054322	562980643	/nfs/dbraw/zinc/98/06/43/562980643.db2.gz	FMYZLZGLBFNFBR-OAQYLSRUSA-N	2	1	441.591	4.059	10	0		IIAEMP
CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)ccc1OC	ZINC000012196226	520736881	/nfs/dbraw/zinc/73/68/81/520736881.db2.gz	BLWBVALYHBVRAN-DEOSSOPVSA-N	2	1	442.575	4.205	10	0		IIAEMP
O[C@@H](COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1)C[N@H+]1CCc2ccccc2C1	ZINC000020452197	527659654	/nfs/dbraw/zinc/65/96/54/527659654.db2.gz	VNJYXCTXXDWZGL-AREMUKBSSA-N	2	1	428.576	4.264	10	0		IIAEMP
C[NH2+]CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1	ZINC000010435503	557220233	/nfs/dbraw/zinc/22/02/33/557220233.db2.gz	QWFPHSGGAKEIGK-UHFFFAOYSA-N	2	1	442.195	4.490	10	0		IIAEMP
CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)s1	ZINC000012099130	519716326	/nfs/dbraw/zinc/71/63/26/519716326.db2.gz	LSANGIBOEWPMHC-SFHVURJKSA-N	2	1	445.658	4.064	10	0		IIAEMP
O=C(C[NH+]1CCCCCC1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1	ZINC000012318537	526739300	/nfs/dbraw/zinc/73/93/00/526739300.db2.gz	VRMBMOGMEKXZFY-XMMPIXPASA-N	2	1	426.649	4.331	10	0		IIAEMP
C[N@@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)C(C1CC1)C1CC1	ZINC000012301408	523151939	/nfs/dbraw/zinc/15/19/39/523151939.db2.gz	FBXUFWRQXSCTOZ-UHFFFAOYSA-N	2	1	449.643	4.045	10	0		IIAEMP
COc1ccc(CC[N@H+](Cc2cc(F)ccc2-n2cccn2)CC2CC[NH+](C)CC2)cc1	ZINC000012612327	523942506	/nfs/dbraw/zinc/94/25/06/523942506.db2.gz	ZSZSQQNSVFAVRD-UHFFFAOYSA-N	2	1	436.575	4.407	10	0		IIAEMP