smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2c(c1)N1[C@H]3[C@H]4[C@H]5C[C@@H]6[NH+](CC[C@@]263)CC5=CCO[C@H]4N2c3ccccc3[C@@]34CC[N@H+]5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54	ZINC000008234251	561705353	/nfs/dbraw/zinc/70/53/53/561705353.db2.gz	CIRUUTNLDXXBKU-HCKBHOMASA-N	2	0	584.764	4.267	10	0	in-vitro	KIAERP
COc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)CC1	ZINC000009274711	553232674	/nfs/dbraw/zinc/23/26/74/553232674.db2.gz	VGXLAYOPDQNUQB-UHFFFAOYSA-N	2	0	505.638	4.129	10	0		KIAERP
CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3cccc(-c4cccc(C(N)=[NH2+])c4)c3)S(C)(=O)=O)cc2)CC1	ZINC000013487644	561715284	/nfs/dbraw/zinc/71/52/84/561715284.db2.gz	NSNKLQDKIRIFBD-UHFFFAOYSA-N	2	0	519.671	4.444	10	0		KIAERP
O[C@@H](C[NH2+]Cc1ccccc1)COc1ccc(Cc2ccc(OC[C@@H](O)C[NH2+]Cc3ccccc3)cc2)cc1	ZINC000026897943	553822060	/nfs/dbraw/zinc/82/20/60/553822060.db2.gz	LDGRPPYMFCXDNV-CONSDPRKSA-N	2	0	526.677	4.336	10	0		KIAERP
O[C@H](C[NH2+]Cc1ccccc1)COc1ccc(Cc2ccc(OC[C@@H](O)C[NH2+]Cc3ccccc3)cc2)cc1	ZINC000026897946	553821879	/nfs/dbraw/zinc/82/18/79/553821879.db2.gz	LDGRPPYMFCXDNV-QRRGNZNSSA-N	2	0	526.677	4.336	10	0		KIAERP
O[C@H](C[NH2+]Cc1ccccc1)COc1ccc(Cc2ccc(OC[C@H](O)C[NH2+]Cc3ccccc3)cc2)cc1	ZINC000026897951	553821991	/nfs/dbraw/zinc/82/19/91/553821991.db2.gz	LDGRPPYMFCXDNV-FIRIVFDPSA-N	2	0	526.677	4.336	10	0		KIAERP
CCC1=C[C@@H]2C[N@H+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](O)[C@]1(O)C(=O)OC)C2	ZINC000048307365	562663000	/nfs/dbraw/zinc/66/30/00/562663000.db2.gz	OBAOAFYUDIHEFP-KMYMPCDISA-N	2	0	736.910	4.183	10	0		KIAERP
CC[C@H]1C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000085540106	562753181	/nfs/dbraw/zinc/75/31/81/562753181.db2.gz	KLFUUCHXSFIPMH-YBFGSCICSA-N	2	0	808.973	4.403	10	0	in-man	KIAERP
CCC1=C[C@@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000094303127	553695563	/nfs/dbraw/zinc/69/55/63/553695563.db2.gz	JCHOPEUTDRTCPT-YNUHUTJQSA-N	2	0	806.957	4.323	10	0	in-vitro	KIAERP
CCC1=C[C@@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000094303128	553695597	/nfs/dbraw/zinc/69/55/97/553695597.db2.gz	JCHOPEUTDRTCPT-JILWWYASSA-N	2	0	806.957	4.323	10	0	in-vitro	KIAERP
CC[C@]12C[N@@H+]3C[C@H](C[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@@H]4[C@]56CC[NH+]5CC=C[C@](CC)([C@H]56)[C@@H](OC(C)=O)[C@]4(O)C(=O)OC)c4[nH]c5ccccc5c4CC3)[C@H]1O2	ZINC000095539744	562755258	/nfs/dbraw/zinc/75/52/58/562755258.db2.gz	LPGWZGMPDKDHEP-NVDFJPPOSA-N	2	0	808.973	4.007	10	0		KIAERP
CC[NH+](CC)CCCNC(=O)C1[C@@H](c2ccccc2)[C@@H](C(=O)NCCC[NH+](CC)CC)[C@@H]1c1ccccc1	ZINC000253495548	572291671	/nfs/dbraw/zinc/29/16/71/572291671.db2.gz	IYZPSUJHWSHYPW-SLXBMRETSA-N	2	0	520.762	4.496	10	0		KIAERP