smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1C[C@@H]2CN(c3ccccc3)C3(CC[NH+](C4CCCCCCCC4)CC3)[C@@H]2C1	ZINC000004628929	204058975	/nfs/dbraw/zinc/05/89/75/204058975.db2.gz	RYDOVBNORDTWNV-RCZVLFRGSA-N	2	1	395.635	5.022	1	0		GKAFMP
Cc1cc(C)c2c(c1)[nH+]c(C)c(C)c2Nc1ccc(N2CC[N@@H+](C)[C@@H](C)C2)cc1	ZINC000167627099	136196993	/nfs/dbraw/zinc/19/69/93/136196993.db2.gz	ISQPPFGYKGDIHL-SFHVURJKSA-N	2	1	388.559	5.352	1	0		GKAFMP
C1=C(c2ccc(CC[NH+]3CCCCC3)cc2)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000029128199	207356287	/nfs/dbraw/zinc/35/62/87/207356287.db2.gz	PIXCEKNYGPOYDB-VPUSJEBWSA-N	2	1	386.583	5.250	1	0		GKAFMP
CC(C)[C@@H]1c2cc([C@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@@H+]1C	ZINC000100060631	581093935	/nfs/dbraw/zinc/09/39/35/581093935.db2.gz	FEPIUXBUJVISNN-BFLUCZKCSA-N	2	1	397.566	5.580	1	0	in-vitro	GKAFMP
CC1=[NH+]c2ccc(-c3ccco3)cc2[C@H](c2ccccc2)N1CC[NH+]1CCCCC1	ZINC000072123137	205306422	/nfs/dbraw/zinc/30/64/22/205306422.db2.gz	OKTFKVGDFAIBPE-SANMLTNESA-N	2	1	399.538	5.887	1	0		GKAFMP
CC(C)[C@@H]1c2cc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@@H+]1C	ZINC000013983848	207005446	/nfs/dbraw/zinc/00/54/46/207005446.db2.gz	FEPIUXBUJVISNN-RMTZWNOUSA-N	2	1	397.566	5.580	1	0	in-vitro	GKAFMP
C[N@H+]1CCC[C@@H]2[C@@H](c3ccccc3)[C@H](C3=[NH+]CCCC3)[C@H](c3ccccc3)C[C@@H]21	ZINC000017423511	207089149	/nfs/dbraw/zinc/08/91/49/207089149.db2.gz	MVIXAPHJOKOOEU-SZSGBHFGSA-N	2	1	386.583	5.909	1	0		GKAFMP
Nc1[nH+]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)c(C[NH3+])n2C1CCCC1	ZINC000026276958	207311403	/nfs/dbraw/zinc/31/14/03/207311403.db2.gz	PMZVFSAGPDDIJA-UHFFFAOYSA-N	2	1	399.498	5.047	1	0		GKAFMP
Cc1[nH+]c2cc(Cl)ccc2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C	ZINC000167357704	136197030	/nfs/dbraw/zinc/19/70/30/136197030.db2.gz	QRWKSCTWTCHDII-HNNXBMFYSA-N	2	1	394.950	5.389	1	0		GKAFMP
COc1ccc2[nH+]c(N[C@H]3CCC[C@H]([NH2+]Cc4ccsc4)C3)cc(C)c2c1	ZINC000028950852	207351462	/nfs/dbraw/zinc/35/14/62/207351462.db2.gz	FELFFDCWHKHTBL-ROUUACIJSA-N	2	1	381.545	5.126	1	0		GKAFMP
Cc1[nH+]c2cccc(Cl)c2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C	ZINC000167118440	136197013	/nfs/dbraw/zinc/19/70/13/136197013.db2.gz	DZQRMYQZZBIVHO-HNNXBMFYSA-N	2	1	394.950	5.389	1	0		GKAFMP
Cc1ccc(C)c2c(Nc3ccc(N4CC[N@@H+](C)[C@@H](C)C4)cc3)c(C)c(C)[nH+]c12	ZINC000169361837	136197340	/nfs/dbraw/zinc/19/73/40/136197340.db2.gz	KTKKHYOEEDBCLW-SFHVURJKSA-N	2	1	388.559	5.352	1	0		GKAFMP
CC(C)[C@@H]1c2cc([C@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@@H+]1C	ZINC000100060633	581094032	/nfs/dbraw/zinc/09/40/32/581094032.db2.gz	FEPIUXBUJVISNN-DGWZTRNLSA-N	2	1	397.566	5.580	1	0	in-vitro	GKAFMP
CC(C)[C@H]1c2cc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@@H+]1C	ZINC000013983845	207005730	/nfs/dbraw/zinc/00/57/30/207005730.db2.gz	FEPIUXBUJVISNN-USZFVNFHSA-N	2	1	397.566	5.580	1	0		GKAFMP
c1ccc(CC[NH2+][C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1	ZINC000022938096	207266082	/nfs/dbraw/zinc/26/60/82/207266082.db2.gz	RYHNNCDMPVRREY-NSOVKSMOSA-N	2	1	396.578	5.114	1	0		GKAFMP
CC(C)[C@@H]1c2cc([C@@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@@H+]1C	ZINC000257811397	581093923	/nfs/dbraw/zinc/09/39/23/581093923.db2.gz	FEPIUXBUJVISNN-KYPHJKQUSA-N	2	1	397.566	5.580	1	0	in-vitro	GKAFMP
C[N@H+]1CCC[C@H]2[C@@H](c3ccccc3)[C@H](C3=[NH+]CCCC3)[C@H](c3ccccc3)C[C@@H]21	ZINC000017423506	207089032	/nfs/dbraw/zinc/08/90/32/207089032.db2.gz	MVIXAPHJOKOOEU-XXEBQWMLSA-N	2	1	386.583	5.909	1	0		GKAFMP
CCCCCC1(CCCCC)CCC2(CC[NH+](CCC[NH+](C)C)CC2)CC1	ZINC000026744697	207319342	/nfs/dbraw/zinc/31/93/42/207319342.db2.gz	GGBNHSBEAQXZIL-UHFFFAOYSA-N	2	1	378.689	6.741	1	0		GKAFMP
CC[NH+](CC)CCC[NH2+]CCCCCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000040616216	205068094	/nfs/dbraw/zinc/06/80/94/205068094.db2.gz	IVCIQCADGPOOTJ-UHFFFAOYSA-N	3	1	391.003	5.182	1	0		GKAFMP
Cc1[nH+]c2cc(Cl)ccc2c(Nc2ccc(N3CC[N@@H+](C)[C@H](C)C3)cc2)c1C	ZINC000066102877	222137096	/nfs/dbraw/zinc/13/70/96/222137096.db2.gz	QRWKSCTWTCHDII-OAHLLOKOSA-N	2	1	394.950	5.389	1	0		GKAFMP