smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)CCNc1nnc(NCCN(CC)CC)c2c1C(=O)c1ccccc1C2=O	ZINC000027624934	563044583	/nfs/dbraw/zinc/04/45/83/563044583.db2.gz	UTTOKRWHTQSFIG-UHFFFAOYSA-N	0	3	438.576	2.759	1	10		IFCFHN
COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027647929	563045144	/nfs/dbraw/zinc/04/51/44/563045144.db2.gz	UYIMRGCQWUTROS-UHFFFAOYSA-N	0	3	436.464	2.911	1	10		IFCFHN
NCCNC(=O)c1c2ncnc3c2c(c2c1N[C@H]1CCCC[C@@H]1N2)C(=O)c1ccccc1-3	ZINC000001903238	562925300	/nfs/dbraw/zinc/92/53/00/562925300.db2.gz	CRJPMQKAXFYIBJ-GJZGRUSLSA-N	0	3	428.496	2.678	1	10		IFCFHN
CN(CCCCOc1ccc(N)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000049016954	563135400	/nfs/dbraw/zinc/13/54/00/563135400.db2.gz	URKGIAVYQXNXKF-QFIPXVFZSA-N	0	3	431.487	2.817	1	10		IFCFHN
O=C1NC(=O)C(c2cccc3c2ccn3CCCO)=C1c1cn2c3c1cccc3CNCC2	ZINC000028136368	563051560	/nfs/dbraw/zinc/05/15/60/563051560.db2.gz	YJRCJVQGBKVXBL-UHFFFAOYSA-N	0	3	440.503	2.649	1	10		IFCFHN
CN(CCCCOc1ccc(N)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000049016950	563135415	/nfs/dbraw/zinc/13/54/15/563135415.db2.gz	URKGIAVYQXNXKF-JOCHJYFZSA-N	0	3	431.487	2.817	1	10		IFCFHN
CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)/C=C/c1ccoc1	ZINC000095593119	563190626	/nfs/dbraw/zinc/19/06/26/563190626.db2.gz	XWEIVFWMWDDUCW-KVBLMNPTSA-N	0	3	426.513	2.718	1	10		IFCFHN
NCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000026846761	563037655	/nfs/dbraw/zinc/03/76/55/563037655.db2.gz	VJGPCVUSIIWDTE-UHFFFAOYSA-N	0	3	449.536	2.948	1	10		IFCFHN
N[C@@H](Cc1cnc[nH]1)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447936	563153311	/nfs/dbraw/zinc/15/33/11/563153311.db2.gz	LOMBCTOGZLZSKL-FQEVSTJZSA-N	0	3	426.476	2.855	1	10		IFCFHN
N[C@H](Cc1cnc[nH]1)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447933	563153316	/nfs/dbraw/zinc/15/33/16/563153316.db2.gz	LOMBCTOGZLZSKL-HXUWFJFHSA-N	0	3	426.476	2.855	1	10		IFCFHN
CN(C)CCSCCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c31	ZINC000095586365	563189195	/nfs/dbraw/zinc/18/91/95/563189195.db2.gz	LXUUBFKSSUTUAB-UHFFFAOYSA-N	0	3	438.601	2.911	1	10		IFCFHN
CN1CCN(CCCn2ccc(-c3cnc4c(-c5ccccc5)cnn4c3)cc2=O)CC1	ZINC000022940042	563026874	/nfs/dbraw/zinc/02/68/74/563026874.db2.gz	RBXCUPOYMILATN-UHFFFAOYSA-N	0	3	428.540	2.863	1	10		IFCFHN
CNC(=S)N(C)CCNc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc21	ZINC000034644434	563086772	/nfs/dbraw/zinc/08/67/72/563086772.db2.gz	JMRPXMNDNKNWFX-UHFFFAOYSA-N	0	3	438.601	2.527	1	10		IFCFHN
CN1CCN(CCCn2ccc(-c3cnc4c(-c5ccsc5)cnn4c3)cc2=O)CC1	ZINC000021290201	563025355	/nfs/dbraw/zinc/02/53/55/563025355.db2.gz	QZNBJKPMALDRGE-UHFFFAOYSA-N	0	3	434.569	2.924	1	10		IFCFHN