smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](CCCNC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000020241406	556549256	/nfs/dbraw/zinc/54/92/56/556549256.db2.gz	FLDUIORQSZUCFH-PTKYAQDPSA-N	2	2	432.052	4.834	10	0		IJAELP
C[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](CCCNC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000020241406	556549259	/nfs/dbraw/zinc/54/92/59/556549259.db2.gz	FLDUIORQSZUCFH-PTKYAQDPSA-N	2	2	432.052	4.834	10	0		IJAELP
O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1)N1CCN(c2cccc[nH+]2)CC1	ZINC000020905529	526554644	/nfs/dbraw/zinc/55/46/44/526554644.db2.gz	YZWSUFGYALWLTQ-QHCPKHFHSA-N	2	2	442.607	4.576	10	0		IJAELP
O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1)N1CCN(c2cccc[nH+]2)CC1	ZINC000020905529	526554653	/nfs/dbraw/zinc/55/46/53/526554653.db2.gz	YZWSUFGYALWLTQ-QHCPKHFHSA-N	2	2	442.607	4.576	10	0		IJAELP
COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Br)c1OCc1ccccc1F	ZINC000010314034	556330389	/nfs/dbraw/zinc/33/03/89/556330389.db2.gz	DOVIAFGBBCLMNY-UHFFFAOYSA-N	2	2	448.336	4.552	10	0		IJAELP
C[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](CCCNC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000020241410	556549123	/nfs/dbraw/zinc/54/91/23/556549123.db2.gz	FLDUIORQSZUCFH-FSMAOSCWSA-N	2	2	432.052	4.834	10	0		IJAELP
C[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](CCCNC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000020241410	556549129	/nfs/dbraw/zinc/54/91/29/556549129.db2.gz	FLDUIORQSZUCFH-FSMAOSCWSA-N	2	2	432.052	4.834	10	0		IJAELP
COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Br)c1OCc1ccc(C)cc1	ZINC000010314118	556330461	/nfs/dbraw/zinc/33/04/61/556330461.db2.gz	CJOXESQCVYTTCH-UHFFFAOYSA-N	2	2	444.373	4.722	10	0		IJAELP
CCC[N@H+](Cc1ccsc1)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1	ZINC000034835937	555913904	/nfs/dbraw/zinc/91/39/04/555913904.db2.gz	KKDIKQOWFYKMQZ-UHFFFAOYSA-N	2	2	441.620	4.545	10	0		IJAELP
CCC[N@@H+](Cc1ccsc1)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1	ZINC000034835937	555913905	/nfs/dbraw/zinc/91/39/05/555913905.db2.gz	KKDIKQOWFYKMQZ-UHFFFAOYSA-N	2	2	441.620	4.545	10	0		IJAELP
CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Br)c1OCc1ccccc1	ZINC000010314017	556330542	/nfs/dbraw/zinc/33/05/42/556330542.db2.gz	MCTKVHIDVNVDTJ-UHFFFAOYSA-N	2	2	444.373	4.803	10	0		IJAELP
O=C(CC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1)N1CCN(c2cccc[nH+]2)CC1	ZINC000020905532	526570262	/nfs/dbraw/zinc/57/02/62/526570262.db2.gz	YZWSUFGYALWLTQ-HSZRJFAPSA-N	2	2	442.607	4.576	10	0		IJAELP
O=C(CC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1)N1CCN(c2cccc[nH+]2)CC1	ZINC000020905532	526570267	/nfs/dbraw/zinc/57/02/67/526570267.db2.gz	YZWSUFGYALWLTQ-HSZRJFAPSA-N	2	2	442.607	4.576	10	0		IJAELP
C[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](CCCNC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000020241408	556549198	/nfs/dbraw/zinc/54/91/98/556549198.db2.gz	FLDUIORQSZUCFH-CLKZLRPASA-N	2	2	432.052	4.834	10	0		IJAELP
C[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](CCCNC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000020241408	556549201	/nfs/dbraw/zinc/54/92/01/556549201.db2.gz	FLDUIORQSZUCFH-CLKZLRPASA-N	2	2	432.052	4.834	10	0		IJAELP
Brc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)c(Br)c1	ZINC000013730772	556295600	/nfs/dbraw/zinc/29/56/00/556295600.db2.gz	HKTNYYDCAWQZBO-UHFFFAOYSA-N	2	2	439.151	4.848	10	0		IJAELP
COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Br)c1OCc1ccc(F)cc1	ZINC000010314033	556330511	/nfs/dbraw/zinc/33/05/11/556330511.db2.gz	FSRCAFDTEFGZOS-UHFFFAOYSA-N	2	2	448.336	4.552	10	0		IJAELP
C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](CCCNC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000005057773	562943821	/nfs/dbraw/zinc/94/38/21/562943821.db2.gz	FLDUIORQSZUCFH-LPYADNKSSA-N	2	2	432.052	4.834	10	0		IJAELP
C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](CCCNC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000005057773	562943824	/nfs/dbraw/zinc/94/38/24/562943824.db2.gz	FLDUIORQSZUCFH-LPYADNKSSA-N	2	2	432.052	4.834	10	0		IJAELP