smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2cc[n-]n2c(=O)c1CCC(=O)N[C@H](CO)C(C)C	ZINC000218545937	337383664	/nfs/dbraw/zinc/38/36/64/337383664.db2.gz	FQBWTHHKTKIOHL-GFCCVEGCSA-N	-1	0	306.366	0.397	50	70		DCIARM
Cc1nc(CN2CCCn3nc([C@H](O)CO)cc3C2)cc(=O)[nH]1	ZINC000217936817	395840409	/nfs/dbraw/zinc/84/04/09/395840409.db2.gz	LARRPBXEIYPXME-CQSZACIVSA-N	-1	0	319.365	0.119	50	70		DCIARM
CCc1noc([C@@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)n1	ZINC000217355418	395838602	/nfs/dbraw/zinc/83/86/02/395838602.db2.gz	LPYNSDPMIRMTBD-MRVPVSSYSA-N	-1	0	305.338	0.752	50	70		DCIARM
COc1ccc2[nH]c(C(=O)NCc3c[nH]c(=O)[nH]c3=O)cc2c1	ZINC000217151889	563712979	/nfs/dbraw/zinc/71/29/79/563712979.db2.gz	PEQIXIJIBMONGS-UHFFFAOYSA-N	-1	0	314.301	0.483	50	70		DCIARM
Nc1cc(=O)[nH]c(CCNC(=O)[C@H](O)c2ccccc2Cl)n1	ZINC000217408515	395838606	/nfs/dbraw/zinc/83/86/06/395838606.db2.gz	TZXAFPDLPFRADQ-CYBMUJFWSA-N	-1	0	322.752	0.810	50	70		DCIARM
Cc1nn2c([n-]1)ncc(C(=O)N(C)C1CCSCC1)c2=O	ZINC000218051703	395841489	/nfs/dbraw/zinc/84/14/89/395841489.db2.gz	FGEPLOSNDAZCEO-UHFFFAOYSA-N	-1	0	307.379	0.694	50	70		DCIARM
Nc1cc(=O)[nH]c(CCNC(=O)[C@@H](O)c2ccccc2Cl)n1	ZINC000217408446	395838596	/nfs/dbraw/zinc/83/85/96/395838596.db2.gz	TZXAFPDLPFRADQ-ZDUSSCGKSA-N	-1	0	322.752	0.810	50	70		DCIARM
CCc1noc([C@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)n1	ZINC000217355487	395838449	/nfs/dbraw/zinc/83/84/49/395838449.db2.gz	LPYNSDPMIRMTBD-QMMMGPOBSA-N	-1	0	305.338	0.752	50	70		DCIARM
Cc1ncc(CO)c(CN2CCCn3nc(CO)cc3C2)c1O	ZINC000217937484	395840432	/nfs/dbraw/zinc/84/04/32/395840432.db2.gz	UIPAYWBQMRMTOV-UHFFFAOYSA-N	-1	0	318.377	0.683	50	70		DCIARM
O=C(NCCCn1ccnn1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000218521222	395843136	/nfs/dbraw/zinc/84/31/36/395843136.db2.gz	ARGZGHRDHDIKBB-UHFFFAOYSA-N	-1	0	312.333	0.577	50	70		DCIARM
CC1CC[NH+](Cc2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)o2)CC1	ZINC000217391049	395838437	/nfs/dbraw/zinc/83/84/37/395838437.db2.gz	FIUCLKQSRQAEAK-UHFFFAOYSA-N	-1	0	319.365	0.853	50	70		DCIARM
O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cc(=O)[n-]o1	ZINC000218117353	395841259	/nfs/dbraw/zinc/84/12/59/395841259.db2.gz	BLYIIVLBPUHPFK-MWLCHTKSSA-N	-1	0	305.290	0.742	50	70		DCIARM
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nn2c([n-]1)nc(C)cc2=O	ZINC000218488516	395842756	/nfs/dbraw/zinc/84/27/56/395842756.db2.gz	QTZPGCHNWNOWHF-MWLCHTKSSA-N	-1	0	321.381	0.182	50	70		DCIARM
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2cc[n-]n2c1=O	ZINC000218534677	337383621	/nfs/dbraw/zinc/38/36/21/337383621.db2.gz	DGZAMQHYARZLGV-ZWNOBZJWSA-N	-1	0	320.393	0.787	50	70		DCIARM
Cc1nn2c([n-]1)nc(C)c(CCC(=O)N[C@H](CO)C(C)C)c2=O	ZINC000218475938	395842796	/nfs/dbraw/zinc/84/27/96/395842796.db2.gz	ONEXSMYYLAHJGE-GFCCVEGCSA-N	-1	0	321.381	0.100	50	70		DCIARM
Cc1cc2nc(CN3CCn4nc(CO)cc4C3)cc(=O)n2[n-]1	ZINC000217452060	337078239	/nfs/dbraw/zinc/07/82/39/337078239.db2.gz	MDYGJZGFPTYUOA-UHFFFAOYSA-N	-1	0	314.349	0.036	50	70		DCIARM
O=C([N-]S(=O)(=O)Cc1ccon1)[C@H]1OCCc2ccccc21	ZINC000161079217	396075108	/nfs/dbraw/zinc/07/51/08/396075108.db2.gz	CIMQRSNHZBEZSE-ZDUSSCGKSA-N	-1	0	322.342	0.935	50	70		DCIARM
O=C([N-]S(=O)(=O)Cc1ccon1)[C@@H]1OCCc2ccccc21	ZINC000161079340	396075009	/nfs/dbraw/zinc/07/50/09/396075009.db2.gz	CIMQRSNHZBEZSE-CYBMUJFWSA-N	-1	0	322.342	0.935	50	70		DCIARM
Cc1nc(CN2CCCn3nc([C@@H](O)CO)cc3C2)cc(=O)[nH]1	ZINC000217936741	395840984	/nfs/dbraw/zinc/84/09/84/395840984.db2.gz	LARRPBXEIYPXME-AWEZNQCLSA-N	-1	0	319.365	0.119	50	70		DCIARM