smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)COc1cccc(CN2CCCN(c3ccc4c(c3)OCCO4)CC2)c1	ZINC000012143998	204375096	/nfs/dbraw/zinc/37/50/96/204375096.db2.gz	UYCABYDKQZGLLY-UHFFFAOYSA-N	0	3	397.475	2.034	40	10		GECBHN
[NH3+]CCC(=O)O[C@@H]1CCCc2c(O)c3c(c([O-])c21)C(=O)c1ccccc1C3=O	ZINC000006583057	204185172	/nfs/dbraw/zinc/18/51/72/204185172.db2.gz	MOUNDAWETWVILR-CYBMUJFWSA-N	0	3	381.384	2.143	40	10		GECBHN
CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1	ZINC000019584967	571015196	/nfs/dbraw/zinc/01/51/96/571015196.db2.gz	ZLCPTHLWVDKUSN-GOSISDBHSA-N	0	3	397.523	2.052	40	10		GECBHN
CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1	ZINC000019584967	571015200	/nfs/dbraw/zinc/01/52/00/571015200.db2.gz	ZLCPTHLWVDKUSN-GOSISDBHSA-N	0	3	397.523	2.052	40	10		GECBHN
[NH3+]CCC(=O)O[C@H]1CCCc2c(O)c3c(c([O-])c21)C(=O)c1ccccc1C3=O	ZINC000005124896	204112719	/nfs/dbraw/zinc/11/27/19/204112719.db2.gz	MOUNDAWETWVILR-ZDUSSCGKSA-N	0	3	381.384	2.143	40	10		GECBHN
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCCN(C)C)C2=O)cc1	ZINC000005375984	204129216	/nfs/dbraw/zinc/12/92/16/204129216.db2.gz	DKBQPNTXJFKCSF-PTNGSMBKSA-N	0	3	394.518	2.391	40	10		GECBHN
Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c1	ZINC000019133450	570958387	/nfs/dbraw/zinc/95/83/87/570958387.db2.gz	ZGOLKTFHLROXNY-MRXNPFEDSA-N	0	3	384.480	2.000	40	10		GECBHN
CN(C)CCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccncc2)n1	ZINC000329008996	206241107	/nfs/dbraw/zinc/24/11/07/206241107.db2.gz	LUEYWIMMZKYJDZ-UHFFFAOYSA-N	0	3	384.871	2.459	40	10		GECBHN
CN(C)CCNC(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000054361025	209112035	/nfs/dbraw/zinc/11/20/35/209112035.db2.gz	NTHTZNWWRBCTCW-LCYFTJDESA-N	0	3	383.926	2.219	40	10		GECBHN
CN(C)CCNc1nc(Nc2cc(Cl)ccc2O)cc(C(F)(F)F)n1	ZINC000329023077	206240831	/nfs/dbraw/zinc/24/08/31/206240831.db2.gz	OSDPZPYVVIGGRT-UHFFFAOYSA-N	0	3	375.782	2.415	40	10		GECBHN
CC[C@H]1C[N@H+](Cc2ccc(OC)cc2[O-])CC[C@H]1CC(=O)N1CCOCC1	ZINC000005433628	560201934	/nfs/dbraw/zinc/20/19/34/560201934.db2.gz	YRWAXGDJGNGPDA-IRXDYDNUSA-N	0	3	376.497	2.498	40	10	biogenic,in-vitro	GECBHN
CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])CC[C@H]1CC(=O)N1CCOCC1	ZINC000005433628	560201936	/nfs/dbraw/zinc/20/19/36/560201936.db2.gz	YRWAXGDJGNGPDA-IRXDYDNUSA-N	0	3	376.497	2.498	40	10	biogenic,in-vitro	GECBHN
CN(C)CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S	ZINC000054361031	212059856	/nfs/dbraw/zinc/05/98/56/212059856.db2.gz	ZAEWMSHIXQOIID-LCYFTJDESA-N	0	3	383.926	2.219	40	10		GECBHN
Oc1ccccc1CN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1	ZINC000225468116	560043247	/nfs/dbraw/zinc/04/32/47/560043247.db2.gz	VHNMGCQVAIFCLH-UHFFFAOYSA-N	0	3	389.521	2.165	40	10	biogenic,in-vitro	GECBHN
Oc1ccccc1CN1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12	ZINC000604381570	570352575	/nfs/dbraw/zinc/35/25/75/570352575.db2.gz	HTHRBBWPWLQBDB-OAQYLSRUSA-N	0	3	379.504	2.163	40	10	biogenic,in-vitro	GECBHN
COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2ccccc2O)CC[C@@]1(C)O	ZINC000604383357	570353970	/nfs/dbraw/zinc/35/39/70/570353970.db2.gz	ZZOZGSBZZJUFKT-FDFHNCONSA-N	0	3	384.476	2.221	40	10	biogenic,in-vitro	GECBHN
CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1	ZINC000019584969	571015086	/nfs/dbraw/zinc/01/50/86/571015086.db2.gz	ZLCPTHLWVDKUSN-SFHVURJKSA-N	0	3	397.523	2.052	40	10		GECBHN
CN(C)c1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1	ZINC000019584969	571015091	/nfs/dbraw/zinc/01/50/91/571015091.db2.gz	ZLCPTHLWVDKUSN-SFHVURJKSA-N	0	3	397.523	2.052	40	10		GECBHN
CN(C)CCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2cccnc2)n1	ZINC000328973710	212091109	/nfs/dbraw/zinc/09/11/09/212091109.db2.gz	FCYWWVDDLJZODL-UHFFFAOYSA-N	0	3	384.871	2.459	40	10		GECBHN
CN(C)CCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccn2)n1	ZINC000329042569	212094663	/nfs/dbraw/zinc/09/46/63/212094663.db2.gz	SOAFRZHGTTWSOU-UHFFFAOYSA-N	0	3	384.871	2.459	40	10		GECBHN
Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c1	ZINC000019133453	221399751	/nfs/dbraw/zinc/39/97/51/221399751.db2.gz	ZGOLKTFHLROXNY-INIZCTEOSA-N	0	3	384.480	2.000	40	10		GECBHN
Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)c1	ZINC000019133453	221399754	/nfs/dbraw/zinc/39/97/54/221399754.db2.gz	ZGOLKTFHLROXNY-INIZCTEOSA-N	0	3	384.480	2.000	40	10		GECBHN