smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1	ZINC000217153320	241237476	/nfs/dbraw/zinc/23/74/76/241237476.db2.gz	XUJYHUKVWYMCSQ-OAQYLSRUSA-N	1	1	346.478	3.576	50	70		EHIAMO
Cn1cc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1	ZINC000217153320	241237481	/nfs/dbraw/zinc/23/74/81/241237481.db2.gz	XUJYHUKVWYMCSQ-OAQYLSRUSA-N	1	1	346.478	3.576	50	70		EHIAMO
Cn1cc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1	ZINC000217153320	241237485	/nfs/dbraw/zinc/23/74/85/241237485.db2.gz	XUJYHUKVWYMCSQ-OAQYLSRUSA-N	1	1	346.478	3.576	50	70		EHIAMO
Cc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)s1	ZINC000218709851	241340504	/nfs/dbraw/zinc/34/05/04/241340504.db2.gz	SMVWQRONDXVTLE-KRWDZBQOSA-N	1	1	328.481	3.504	50	70		EHIAMO
C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC2CCOCC2)cc1	ZINC000161142610	564118010	/nfs/dbraw/zinc/11/80/10/564118010.db2.gz	BSDGIYBDHXKABB-WDSOQIARSA-N	1	1	346.515	3.768	50	70		EHIAMO
Cc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)s1	ZINC000218709779	241340471	/nfs/dbraw/zinc/34/04/71/241340471.db2.gz	SMVWQRONDXVTLE-QGZVFWFLSA-N	1	1	328.481	3.504	50	70		EHIAMO
C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC2CCOCC2)cc1	ZINC000161142374	564118007	/nfs/dbraw/zinc/11/80/07/564118007.db2.gz	BSDGIYBDHXKABB-UHOSZYNNSA-N	1	1	346.515	3.768	50	70		EHIAMO
OCc1cc2n(n1)CCC[N@H+](Cc1ccc(C3CCCCC3)s1)C2	ZINC000218487169	241326828	/nfs/dbraw/zinc/32/68/28/241326828.db2.gz	FVGWEGVJHYYCKU-UHFFFAOYSA-N	1	1	345.512	3.891	50	70		EHIAMO
OCc1cc2n(n1)CCC[N@@H+](Cc1ccc(C3CCCCC3)s1)C2	ZINC000218487169	241326835	/nfs/dbraw/zinc/32/68/35/241326835.db2.gz	FVGWEGVJHYYCKU-UHFFFAOYSA-N	1	1	345.512	3.891	50	70		EHIAMO
Cc1cc(C)n(-c2cccc(C[N@@H+](CC3CC3)C[C@@H]3CCCO3)c2)n1	ZINC000218138859	241299377	/nfs/dbraw/zinc/29/93/77/241299377.db2.gz	KUFVKFRLMMNWLN-NRFANRHFSA-N	1	1	339.483	3.880	50	70		EHIAMO
Cc1cc(C)n(-c2cccc(C[N@@H+](CC3CC3)C[C@H]3CCCO3)c2)n1	ZINC000218138942	241299665	/nfs/dbraw/zinc/29/96/65/241299665.db2.gz	KUFVKFRLMMNWLN-OAQYLSRUSA-N	1	1	339.483	3.880	50	70		EHIAMO
C[N@H+]1CCCC[C@@H]1CNC(=O)CCCc1ccc(C(C)(C)C)cc1	ZINC000217192787	241242287	/nfs/dbraw/zinc/24/22/87/241242287.db2.gz	GHVRCNNVCIWEFO-LJQANCHMSA-N	1	1	330.516	3.907	50	70		EHIAMO
Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217706759	241271184	/nfs/dbraw/zinc/27/11/84/241271184.db2.gz	BLXQVTGCSHQMBQ-DOTOQJQBSA-N	1	1	326.440	3.736	50	70	biogenic	EHIAMO
O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2c(cccc2Cl)[nH]1	ZINC000217929608	241286273	/nfs/dbraw/zinc/28/62/73/241286273.db2.gz	ZIAOWARRTKNEFG-SCLBCKFNSA-N	1	1	345.874	3.816	50	70	biogenic	EHIAMO
C[N@H+]1CCCC[C@H]1CNC(=O)CCCc1ccc(C(C)(C)C)cc1	ZINC000217192793	536359731	/nfs/dbraw/zinc/35/97/31/536359731.db2.gz	GHVRCNNVCIWEFO-IBGZPJMESA-N	1	1	330.516	3.907	50	70		EHIAMO
C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1csc3ccccc13)C2	ZINC000216911761	241219658	/nfs/dbraw/zinc/21/96/58/241219658.db2.gz	RTJYGVAHPULVCW-ZDUSSCGKSA-N	1	1	327.453	3.557	50	70		EHIAMO
C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1csc3ccccc13)C2	ZINC000216911761	241219661	/nfs/dbraw/zinc/21/96/61/241219661.db2.gz	RTJYGVAHPULVCW-ZDUSSCGKSA-N	1	1	327.453	3.557	50	70		EHIAMO
C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1csc3ccccc13)C2	ZINC000216911733	241219103	/nfs/dbraw/zinc/21/91/03/241219103.db2.gz	RTJYGVAHPULVCW-CYBMUJFWSA-N	1	1	327.453	3.557	50	70		EHIAMO
C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1csc3ccccc13)C2	ZINC000216911733	241219109	/nfs/dbraw/zinc/21/91/09/241219109.db2.gz	RTJYGVAHPULVCW-CYBMUJFWSA-N	1	1	327.453	3.557	50	70		EHIAMO
CCC(=O)Nc1ccc(SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1	ZINC000218052578	241294108	/nfs/dbraw/zinc/29/41/08/241294108.db2.gz	LNSUGMJFFQEZJQ-GOEBONIOSA-N	1	1	333.501	3.787	50	70	biogenic	EHIAMO
CSCc1ccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)o1	ZINC000218591484	241332313	/nfs/dbraw/zinc/33/23/13/241332313.db2.gz	ZPAKRZBZIOAUFV-UHFFFAOYSA-N	1	1	336.501	3.623	50	70		EHIAMO
Cc1[nH]c2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1C	ZINC000217836184	241276390	/nfs/dbraw/zinc/27/63/90/241276390.db2.gz	CKESOXJUHXOFCW-FXAWDEMLSA-N	1	1	339.483	3.779	50	70	biogenic	EHIAMO