smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CC[C@](C)(CNC(=O)Cc2c[nH]c(=O)[n-]c2=O)C1	ZINC000217941255	352233791	/nfs/dbraw/zinc/23/37/91/352233791.db2.gz	ZAUYBHRBHOSNDE-CYBMUJFWSA-N	0	3	280.328	-0.936	50	70		CBIAHN
C[N@H+]1CC[C@](C)(CNC(=O)Cc2c[nH]c(=O)[n-]c2=O)C1	ZINC000217941255	352233793	/nfs/dbraw/zinc/23/37/93/352233793.db2.gz	ZAUYBHRBHOSNDE-CYBMUJFWSA-N	0	3	280.328	-0.936	50	70		CBIAHN
Cc1nc(N)ncc1C(=O)NC[C@@H]1C[C@H](F)CN1	ZINC000216945302	352232745	/nfs/dbraw/zinc/23/27/45/352232745.db2.gz	YLCBBFYYPJMXTP-YUMQZZPRSA-N	0	3	253.281	-0.203	50	70		CBIAHN
O=C(CNC1CC1)N[C@@H]1CCOC[C@H]1OCCO	ZINC000218398438	352234833	/nfs/dbraw/zinc/23/48/33/352234833.db2.gz	OMNJIPRRRIVLOS-GHMZBOCLSA-N	0	3	258.318	-0.979	50	70		CBIAHN
O=C(Cc1ccc([O-])c(F)c1)NC[C@@]1(O)CC[NH2+]C1	ZINC000217108852	352232676	/nfs/dbraw/zinc/23/26/76/352232676.db2.gz	IRLFVDCXVNMURD-CYBMUJFWSA-N	0	3	268.288	-0.086	50	70		CBIAHN
Cc1ccn2c(nnc2C(=O)NC[C@@H]2C[C@H](F)CN2)n1	ZINC000217008110	189707896	/nfs/dbraw/zinc/70/78/96/189707896.db2.gz	QYRYSEXFYGNWSF-IUCAKERBSA-N	0	3	278.291	-0.137	50	70		CBIAHN
Nc1ccnc(N2CCN(C3CCOCC3)C[C@@H](O)C2)n1	ZINC000217444667	352233465	/nfs/dbraw/zinc/23/34/65/352233465.db2.gz	ZJOSFCHMLPLWCV-GFCCVEGCSA-N	0	3	293.371	-0.279	50	70		CBIAHN
O=C(CNC1CC1)N1CCn2nc([C@H](O)CO)cc2C1	ZINC000217937771	352234407	/nfs/dbraw/zinc/23/44/07/352234407.db2.gz	UGOBGJBPCNHWQJ-GFCCVEGCSA-N	0	3	280.328	-0.997	50	70		CBIAHN
O=C(CNC1CC1)N1CCn2nc([C@@H](O)CO)cc2C1	ZINC000217937695	352234354	/nfs/dbraw/zinc/23/43/54/352234354.db2.gz	UGOBGJBPCNHWQJ-LBPRGKRZSA-N	0	3	280.328	-0.997	50	70		CBIAHN
C[N@@H+]1CCC[C@@H](C(=O)NCc2c[nH]c(=O)[n-]c2=O)C1	ZINC000216959096	352232617	/nfs/dbraw/zinc/23/26/17/352232617.db2.gz	QZDKMGQSWUVJMP-MRVPVSSYSA-N	0	3	266.301	-0.979	50	70		CBIAHN
C[N@H+]1CCC[C@@H](C(=O)NCc2c[nH]c(=O)[n-]c2=O)C1	ZINC000216959096	352232622	/nfs/dbraw/zinc/23/26/22/352232622.db2.gz	QZDKMGQSWUVJMP-MRVPVSSYSA-N	0	3	266.301	-0.979	50	70		CBIAHN
C[N@@H+]1CCC[C@H](C(=O)NCc2c[nH]c(=O)[n-]c2=O)C1	ZINC000216959118	352232924	/nfs/dbraw/zinc/23/29/24/352232924.db2.gz	QZDKMGQSWUVJMP-QMMMGPOBSA-N	0	3	266.301	-0.979	50	70		CBIAHN
C[N@H+]1CCC[C@H](C(=O)NCc2c[nH]c(=O)[n-]c2=O)C1	ZINC000216959118	352232926	/nfs/dbraw/zinc/23/29/26/352232926.db2.gz	QZDKMGQSWUVJMP-QMMMGPOBSA-N	0	3	266.301	-0.979	50	70		CBIAHN
O=C(Cc1ccc([O-])c(F)c1)NC[C@]1(O)CC[NH2+]C1	ZINC000217108869	352232266	/nfs/dbraw/zinc/23/22/66/352232266.db2.gz	IRLFVDCXVNMURD-ZDUSSCGKSA-N	0	3	268.288	-0.086	50	70		CBIAHN
C[N@@H+]1CC[C@@](C)(CNC(=O)Cc2c[nH]c(=O)[n-]c2=O)C1	ZINC000217941174	352233758	/nfs/dbraw/zinc/23/37/58/352233758.db2.gz	ZAUYBHRBHOSNDE-ZDUSSCGKSA-N	0	3	280.328	-0.936	50	70		CBIAHN
C[N@H+]1CC[C@@](C)(CNC(=O)Cc2c[nH]c(=O)[n-]c2=O)C1	ZINC000217941174	352233760	/nfs/dbraw/zinc/23/37/60/352233760.db2.gz	ZAUYBHRBHOSNDE-ZDUSSCGKSA-N	0	3	280.328	-0.936	50	70		CBIAHN
CN1CCC(O)(C(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)CC1	ZINC000217343480	276888312	/nfs/dbraw/zinc/88/83/12/276888312.db2.gz	LZWAKYLLKRIHBV-MXWKQRLJSA-N	0	3	254.330	-0.263	50	70		CBIAHN