smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000001547992	569070470	/nfs/dbraw/zinc/07/04/70/569070470.db2.gz	LQZAIAZUDWIVPM-GRYCIOLGSA-N	1	2	405.415	-2.146	40	0		HAABLO
CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000001547992	569070469	/nfs/dbraw/zinc/07/04/69/569070469.db2.gz	LQZAIAZUDWIVPM-GRYCIOLGSA-N	1	2	405.415	-2.146	40	0		HAABLO
CN1C(=O)C[C@H](C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000003873381	569254774	/nfs/dbraw/zinc/25/47/74/569254774.db2.gz	LQZAIAZUDWIVPM-IJLUTSLNSA-N	1	2	405.415	-2.146	40	0		HAABLO
CN1C(=O)C[C@H](C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000003873381	569254773	/nfs/dbraw/zinc/25/47/73/569254773.db2.gz	LQZAIAZUDWIVPM-IJLUTSLNSA-N	1	2	405.415	-2.146	40	0		HAABLO
C[C@H]1SC[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000004654835	569071409	/nfs/dbraw/zinc/07/14/09/569071409.db2.gz	RSHMQGIMHQPMEB-IXOXFDKPSA-N	1	2	408.484	-1.467	40	0	in-man	HAABLO
C[C@H]1SC[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000004654835	569071408	/nfs/dbraw/zinc/07/14/08/569071408.db2.gz	RSHMQGIMHQPMEB-IXOXFDKPSA-N	1	2	408.484	-1.467	40	0	in-man	HAABLO
CS(=O)(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](O)[C@@H]1O	ZINC000008643581	291157842	/nfs/dbraw/zinc/15/78/42/291157842.db2.gz	MANCDPHRKLDHNZ-UWWPHRKUSA-N	1	2	414.484	-1.841	40	0	biogenic,in-vitro	HAABLO
C[C@@H]1SC[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000011616831	1071578254	/nfs/dbraw/zinc/57/82/54/1071578254.db2.gz	RSHMQGIMHQPMEB-FTYKPCCVSA-N	1	2	408.484	-1.467	40	0		HAABLO
C[C@@H]1SC[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000011616831	1071578245	/nfs/dbraw/zinc/57/82/45/1071578245.db2.gz	RSHMQGIMHQPMEB-FTYKPCCVSA-N	1	2	408.484	-1.467	40	0		HAABLO
O=C(C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O)NCC[NH+]1CCOCC1	ZINC000012603926	291159994	/nfs/dbraw/zinc/15/99/94/291159994.db2.gz	FDJNFYIPGKSODF-OGWHTMIXSA-N	1	2	407.467	-1.256	40	0	biogenic,in-vitro	HAABLO
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ncccn2)CC1)N1CCOCC1	ZINC000020465065	575367406	/nfs/dbraw/zinc/36/74/06/575367406.db2.gz	XXGLIWXUNJCRGU-LTIDMASMSA-N	1	2	422.486	-1.870	40	0	biogenic,in-vitro	HAABLO
CS(=O)(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000020465370	575368010	/nfs/dbraw/zinc/36/80/10/575368010.db2.gz	XVFWDUHMSANWPY-LTIDMASMSA-N	1	2	403.476	-1.014	40	0	biogenic,in-vitro	HAABLO
COc1ccccc1N1CC[NH+]([C@H]2[C@@H](CNS(C)(=O)=O)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465530	575367982	/nfs/dbraw/zinc/36/79/82/575367982.db2.gz	SLGWDOMYAQWJOY-VSZNYVQBSA-N	1	2	415.512	-1.144	40	0	biogenic,in-vitro	HAABLO
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccccn2)CC1)N1CCOCC1	ZINC000020465598	575367950	/nfs/dbraw/zinc/36/79/50/575367950.db2.gz	YOKYZJHKONLYFD-KCITZHQASA-N	1	2	421.498	-1.265	40	0	biogenic,in-vitro	HAABLO
CN1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000026267174	569030890	/nfs/dbraw/zinc/03/08/90/569030890.db2.gz	LQZAIAZUDWIVPM-TUAOUCFPSA-N	1	2	405.415	-2.146	40	0		HAABLO
CN1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000026267174	569030889	/nfs/dbraw/zinc/03/08/89/569030889.db2.gz	LQZAIAZUDWIVPM-TUAOUCFPSA-N	1	2	405.415	-2.146	40	0		HAABLO
C[C@@H]1SC[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000031361247	571315674	/nfs/dbraw/zinc/31/56/74/571315674.db2.gz	RSHMQGIMHQPMEB-SYEHKZFSSA-N	1	2	408.484	-1.467	40	0		HAABLO
C[C@@H]1SC[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000031361247	571315673	/nfs/dbraw/zinc/31/56/73/571315673.db2.gz	RSHMQGIMHQPMEB-SYEHKZFSSA-N	1	2	408.484	-1.467	40	0		HAABLO
CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000032296163	569039428	/nfs/dbraw/zinc/03/94/28/569039428.db2.gz	LQZAIAZUDWIVPM-WOPDTQHZSA-N	1	2	405.415	-2.146	40	0		HAABLO
CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000032296163	569039427	/nfs/dbraw/zinc/03/94/27/569039427.db2.gz	LQZAIAZUDWIVPM-WOPDTQHZSA-N	1	2	405.415	-2.146	40	0		HAABLO
CN1C(=O)C[C@H](C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000097975972	569128846	/nfs/dbraw/zinc/12/88/46/569128846.db2.gz	LQZAIAZUDWIVPM-UTUOFQBUSA-N	1	2	405.415	-2.146	40	0		HAABLO
CN1C(=O)C[C@H](C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000097975972	569128844	/nfs/dbraw/zinc/12/88/44/569128844.db2.gz	LQZAIAZUDWIVPM-UTUOFQBUSA-N	1	2	405.415	-2.146	40	0		HAABLO
COCCNC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3[nH+]ccn3C)O[C@@H]2[C@@H]1O	ZINC000225379814	291156886	/nfs/dbraw/zinc/15/68/86/291156886.db2.gz	WXZICQSFCXLXOK-ZJVPAZETSA-N	1	2	411.459	-1.342	40	0	biogenic,in-vitro	HAABLO
Cc1cn([C@@H]2CN(C(=O)CNc3[nH+]cnc4c3cnn4C)C[C@H]2O)c(=O)[nH]c1=O	ZINC000257304099	568805759	/nfs/dbraw/zinc/80/57/59/568805759.db2.gz	SKBOIPRHLIBNEB-VXGBXAGGSA-N	1	2	400.399	-1.210	40	0		HAABLO
C[C@@H]1SC[C@H](C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000271778083	571314423	/nfs/dbraw/zinc/31/44/23/571314423.db2.gz	RSHMQGIMHQPMEB-SQNXGDPESA-N	1	2	408.484	-1.467	40	0		HAABLO
C[C@@H]1SC[C@H](C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000271778083	571314422	/nfs/dbraw/zinc/31/44/22/571314422.db2.gz	RSHMQGIMHQPMEB-SQNXGDPESA-N	1	2	408.484	-1.467	40	0		HAABLO
C[C@@H]1SC[C@H](C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000271778088	571314521	/nfs/dbraw/zinc/31/45/21/571314521.db2.gz	RSHMQGIMHQPMEB-WKSBVSIWSA-N	1	2	408.484	-1.467	40	0		HAABLO
C[C@@H]1SC[C@H](C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000271778088	571314519	/nfs/dbraw/zinc/31/45/19/571314519.db2.gz	RSHMQGIMHQPMEB-WKSBVSIWSA-N	1	2	408.484	-1.467	40	0		HAABLO