smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CC[N@H+](C)[C@@H](C)C2)cc1F	ZINC000216663396	568466192	/nfs/dbraw/zinc/46/61/92/568466192.db2.gz	RBEQYYQQGJVPBQ-SFHVURJKSA-N	1	0	408.521	4.131	50	70		HIIARO
O=C(c1ccc(F)cc1Cl)N1CCC([NH+]2CCC(Oc3nccs3)CC2)CC1	ZINC000217592254	568896247	/nfs/dbraw/zinc/89/62/47/568896247.db2.gz	XAVBTSFOEAWWCL-UHFFFAOYSA-N	1	0	423.941	4.084	50	70		HIIARO
Cc1c2cc(Br)ccc2[nH]c1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217751052	568909550	/nfs/dbraw/zinc/90/95/50/568909550.db2.gz	BHJAVPVHIGROFR-KBXCAEBGSA-N	1	0	404.352	4.233	50	70		HIIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(Cl)cc1Cl	ZINC000217752252	569039078	/nfs/dbraw/zinc/03/90/78/569039078.db2.gz	VBBZYELUODTLKI-SCLBCKFNSA-N	1	0	407.345	4.378	50	70		HIIARO
O=C(c1cccc2ccccc21)N1CCC([NH+]2CCC(Oc3ccncc3)CC2)CC1	ZINC000217435880	568880119	/nfs/dbraw/zinc/88/01/19/568880119.db2.gz	DZQPTQGGGBCTBN-UHFFFAOYSA-N	1	0	415.537	4.383	50	70		HIIARO
Cn1nc(-c2ccc(Cl)cc2Cl)cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217936730	568920277	/nfs/dbraw/zinc/92/02/77/568920277.db2.gz	BODUENCUMVTAHY-IFXJQAMLSA-N	1	0	421.372	4.388	50	70		HIIARO
O=c1occ(C[NH+]2CCCCCC2)c([O-])c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1	ZINC000218165974	568475974	/nfs/dbraw/zinc/47/59/74/568475974.db2.gz	JELUNNKRVACGQX-UHFFFAOYSA-N	1	0	412.505	4.150	50	70		HIIARO
O=C(c1cccc2ccccc21)N1CCC([NH+]2CCC(Oc3nccs3)CC2)CC1	ZINC000217487671	568884436	/nfs/dbraw/zinc/88/44/36/568884436.db2.gz	HXXFLCIMVPVWPV-UHFFFAOYSA-N	1	0	421.566	4.444	50	70		HIIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)ccc1-n1cccc1	ZINC000217950823	568920680	/nfs/dbraw/zinc/92/06/80/568920680.db2.gz	ZIAYCBLPFJWYFS-QFBILLFUSA-N	1	0	416.363	4.234	50	70		HIIARO
CCOc1ccccc1C(=O)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217596794	568896548	/nfs/dbraw/zinc/89/65/48/568896548.db2.gz	DMXUYKNMJKRAKI-QHCPKHFHSA-N	1	0	422.569	4.371	50	70		HIIARO
Cc1ccccc1OCC(=O)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217597009	568896466	/nfs/dbraw/zinc/89/64/66/568896466.db2.gz	XZKGJRNZKKPFIV-DEOSSOPVSA-N	1	0	422.569	4.046	50	70		HIIARO
COC1CC[NH+](C2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)CC1	ZINC000217760521	568910434	/nfs/dbraw/zinc/91/04/34/568910434.db2.gz	BCEFDONZHQNBDL-UHFFFAOYSA-N	1	0	406.526	4.026	50	70		HIIARO
Cc1cccc(CC(=O)N2CCC([N@@H+]3CCC[C@@H]3COCc3ccccc3)CC2)c1	ZINC000217596131	568896562	/nfs/dbraw/zinc/89/65/62/568896562.db2.gz	QOILYUDVIUFGRQ-RUZDIDTESA-N	1	0	406.570	4.210	50	70		HIIARO
CCOc1ccccc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217596701	568896490	/nfs/dbraw/zinc/89/64/90/568896490.db2.gz	DMXUYKNMJKRAKI-HSZRJFAPSA-N	1	0	422.569	4.371	50	70		HIIARO
O=C(Cc1ccc(F)cc1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217596321	568896585	/nfs/dbraw/zinc/89/65/85/568896585.db2.gz	MGZAKPRBUNCLOH-DEOSSOPVSA-N	1	0	410.533	4.040	50	70		HIIARO
CC(C)c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n(-c2ccccc2)n1	ZINC000218204690	568476427	/nfs/dbraw/zinc/47/64/27/568476427.db2.gz	IBABAZKSIFXLAU-UHFFFAOYSA-N	1	0	402.542	4.390	50	70		HIIARO
Cc1ccccc1OCC(=O)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217596920	568896575	/nfs/dbraw/zinc/89/65/75/568896575.db2.gz	XZKGJRNZKKPFIV-XMMPIXPASA-N	1	0	422.569	4.046	50	70		HIIARO
Cc1cccc(CC(=O)N2CCC([N@@H+]3CCC[C@H]3COCc3ccccc3)CC2)c1	ZINC000217596222	568896495	/nfs/dbraw/zinc/89/64/95/568896495.db2.gz	QOILYUDVIUFGRQ-VWLOTQADSA-N	1	0	406.570	4.210	50	70		HIIARO
O=C(Cc1ccc(F)cc1)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217596405	568896540	/nfs/dbraw/zinc/89/65/40/568896540.db2.gz	MGZAKPRBUNCLOH-XMMPIXPASA-N	1	0	410.533	4.040	50	70		HIIARO