smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1=O	ZINC000217731063	569452284	/nfs/dbraw/zinc/45/22/84/569452284.db2.gz	DXQGTGMFTKCJFO-YSIASYRMSA-N	1	0	442.560	2.277	50	70	biogenic	IEIARO
C[NH+](C)CCn1cnc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21	ZINC000217835358	557174291	/nfs/dbraw/zinc/17/42/91/557174291.db2.gz	OTZZDDSITCUCDX-SFHVURJKSA-N	1	0	434.500	2.067	50	70	biogenic	IEIARO
COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C=C2	ZINC000217753645	569452820	/nfs/dbraw/zinc/45/28/20/569452820.db2.gz	IPOAWKNNMBGULF-AZUAARDMSA-N	1	0	427.545	2.440	50	70	biogenic	IEIARO
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000217785321	569453188	/nfs/dbraw/zinc/45/31/88/569453188.db2.gz	COUDQRFTXJAGAO-SESVDKBCSA-N	1	0	442.560	2.277	50	70	biogenic	IEIARO
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217883889	569454574	/nfs/dbraw/zinc/45/45/74/569454574.db2.gz	VXENKVFMDBFXKA-PCCBWWKXSA-N	1	0	426.561	2.310	50	70	biogenic	IEIARO
COc1ccc(CCN2C[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1OC	ZINC000217709002	569451991	/nfs/dbraw/zinc/45/19/91/569451991.db2.gz	BILVACWSJNEWCP-PWRODBHTSA-N	1	0	443.588	2.476	50	70	biogenic	IEIARO
O=C(C[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217615521	569450219	/nfs/dbraw/zinc/45/02/19/569450219.db2.gz	LTJWZSPXQHRKOC-YSIASYRMSA-N	1	0	430.524	2.059	50	70	biogenic	IEIARO
O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217776794	569453013	/nfs/dbraw/zinc/45/30/13/569453013.db2.gz	FPPMXMWOWPPVBM-YSIASYRMSA-N	1	0	430.524	2.407	50	70	biogenic	IEIARO
COc1cc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc(OC)c1OC	ZINC000217692280	569451913	/nfs/dbraw/zinc/45/19/13/569451913.db2.gz	WBIHFVSNQDFSIS-YQVWRLOYSA-N	1	0	445.560	2.446	50	70	biogenic	IEIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000218364040	557195684	/nfs/dbraw/zinc/19/56/84/557195684.db2.gz	YLYGPNWDUGLILD-XLIONFOSSA-N	1	0	425.533	2.012	50	70		IEIARO
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000218031024	569455938	/nfs/dbraw/zinc/45/59/38/569455938.db2.gz	GIEBOJNVUUTFQJ-FFZOFVMBSA-N	1	0	428.533	2.281	50	70	biogenic	IEIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000218364118	557195592	/nfs/dbraw/zinc/19/55/92/557195592.db2.gz	YLYGPNWDUGLILD-PXNSSMCTSA-N	1	0	425.533	2.012	50	70		IEIARO
COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32c3ccccc3NC2=O)cc1OC	ZINC000217723609	557173292	/nfs/dbraw/zinc/17/32/92/557173292.db2.gz	DMYOOPSREMVGOU-XXPWESIGSA-N	1	0	433.464	2.135	50	70		IEIARO