smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN1CCNC(=O)C1)NCc1nc2ccc(F)cc2[nH]1	ZINC000216906236	376575312	/nfs/dbraw/zinc/57/53/12/376575312.db2.gz	UXLIITUMSPXCOZ-UHFFFAOYSA-N	0	1	305.313	-0.250	50	70		DBIAMN
OC[C@H](O)c1cc2n(n1)CCCN(CCCn1cnnn1)C2	ZINC000217175699	376579292	/nfs/dbraw/zinc/57/92/92/376579292.db2.gz	FQCVJOJFTOZGBA-ZDUSSCGKSA-N	0	1	307.358	-0.809	50	70		DBIAMN
OC[C@@H](O)c1cc2n(n1)CCCN(CCCn1cnnn1)C2	ZINC000217175691	376579871	/nfs/dbraw/zinc/57/98/71/376579871.db2.gz	FQCVJOJFTOZGBA-CYBMUJFWSA-N	0	1	307.358	-0.809	50	70		DBIAMN
CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCC1=NNC(=O)CC1	ZINC000218079968	376600722	/nfs/dbraw/zinc/60/07/22/376600722.db2.gz	PAMZDUZIYLPVCI-AQNFWKISSA-N	0	1	308.382	-0.134	50	70		DBIAMN
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(C)Cc1nnc(C)o1	ZINC000217015687	376577089	/nfs/dbraw/zinc/57/70/89/376577089.db2.gz	RYMJNBLWIIMYTH-NSHDSACASA-N	0	1	306.326	-0.193	50	70		DBIAMN
Cc1nc(CN2CCN(c3cc(=O)[nH]cn3)C[C@@H](O)C2)n[nH]1	ZINC000217058353	376577696	/nfs/dbraw/zinc/57/76/96/376577696.db2.gz	TYEOCPOTKSZTGN-JTQLQIEISA-N	0	1	305.342	-0.708	50	70		DBIAMN
Cn1c(=O)[nH]cc(CCN2CCCn3nc(CO)cc3C2)c1=O	ZINC000217198884	376582381	/nfs/dbraw/zinc/58/23/81/376582381.db2.gz	QWZJAAMUGHUMSA-UHFFFAOYSA-N	0	1	319.365	-0.789	50	70		DBIAMN
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2n[nH]cc2C1	ZINC000217739858	376595083	/nfs/dbraw/zinc/59/50/83/376595083.db2.gz	IQXACGIDPDNDDG-ZDUSSCGKSA-N	0	1	302.338	-0.235	50	70		DBIAMN
CNC(=O)CN1CCN(Cc2cc(C3CC3)[nH]n2)C[C@@H](O)C1	ZINC000216969253	376575361	/nfs/dbraw/zinc/57/53/61/376575361.db2.gz	ZFORLYMMOIKBAP-CYBMUJFWSA-N	0	1	307.398	-0.488	50	70		DBIAMN