smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnsc1C(=O)N1CCC([NH+]2CCC(Oc3ccccc3F)CC2)CC1	ZINC000217591070	568895588	/nfs/dbraw/zinc/89/55/88/568895588.db2.gz	ILZRRCAYCJGXBB-UHFFFAOYSA-N	1	0	404.511	3.134	50	70		HGIARO
CCc1nc(C)sc1C(=O)NC1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1	ZINC000218345787	568478791	/nfs/dbraw/zinc/47/87/91/568478791.db2.gz	KIPUZXCLLYQZRU-UHFFFAOYSA-N	1	0	403.548	3.426	50	70		HGIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1	ZINC000217869335	568916877	/nfs/dbraw/zinc/91/68/77/568916877.db2.gz	HRXDSFDFJZJLED-YZVOILCLSA-N	1	0	407.917	3.213	50	70	biogenic	HGIARO
O=C(NCc1cccs1)N1CCC([NH+]2CCC(Oc3ccncc3)CC2)CC1	ZINC000217443716	568880417	/nfs/dbraw/zinc/88/04/17/568880417.db2.gz	LGPRPUMPRPQEKW-UHFFFAOYSA-N	1	0	400.548	3.361	50	70		HGIARO
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3c(c2)ncn3CCC[NH+](C)C)c1C	ZINC000218125513	568475209	/nfs/dbraw/zinc/47/52/09/568475209.db2.gz	HQULEHVXBZNHBJ-UHFFFAOYSA-N	1	0	411.506	3.362	50	70		HGIARO
COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n(C)n2)c(OC)c1	ZINC000217639079	568901255	/nfs/dbraw/zinc/90/12/55/568901255.db2.gz	MQBBIEKHQOAWIV-OXJNMPFZSA-N	1	0	412.534	3.099	50	70	biogenic	HGIARO
COc1ccc(CNC(=O)N2CCC([NH+]3CCC(Oc4ccncc4)CC3)CC2)cc1	ZINC000217443073	568880438	/nfs/dbraw/zinc/88/04/38/568880438.db2.gz	IQRKLHMBSDAYFE-UHFFFAOYSA-N	1	0	424.545	3.308	50	70		HGIARO
COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n(C)n2)cc1OC	ZINC000217613903	568898881	/nfs/dbraw/zinc/89/88/81/568898881.db2.gz	VUVUAKGBDKCXAB-PKOBYXMFSA-N	1	0	412.534	3.099	50	70	biogenic	HGIARO
Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)cc1	ZINC000217469135	569038785	/nfs/dbraw/zinc/03/87/85/569038785.db2.gz	DNFVZNPHOQSYCX-FUMNGEBKSA-N	1	0	408.885	3.484	50	70		HGIARO
COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217721477	568907873	/nfs/dbraw/zinc/90/78/73/568907873.db2.gz	KXNNDHHUDWFVON-SFHVURJKSA-N	1	0	401.459	3.035	50	70	biogenic	HGIARO
COc1ncccc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217599679	568896640	/nfs/dbraw/zinc/89/66/40/568896640.db2.gz	RSYAWAWPIGQYNJ-OAQYLSRUSA-N	1	0	409.530	3.376	50	70		HGIARO
COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)cc1	ZINC000217474450	569038759	/nfs/dbraw/zinc/03/87/59/569038759.db2.gz	USJLSKUJLJCMPX-FYQPLNBISA-N	1	0	424.884	3.184	50	70		HGIARO
COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217721388	568907888	/nfs/dbraw/zinc/90/78/88/568907888.db2.gz	KXNNDHHUDWFVON-GOSISDBHSA-N	1	0	401.459	3.035	50	70	biogenic	HGIARO
Cc1sc2nc(C)n(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)c2c1C	ZINC000217762392	568910997	/nfs/dbraw/zinc/91/09/97/568910997.db2.gz	NPIOYZSTVVAYJO-ZWKOTPCHSA-N	1	0	416.591	3.154	50	70	biogenic	HGIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1	ZINC000217869255	568916951	/nfs/dbraw/zinc/91/69/51/568916951.db2.gz	HRXDSFDFJZJLED-QMTMVMCOSA-N	1	0	407.917	3.213	50	70	biogenic	HGIARO
COc1ncccc1C(=O)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217599766	568896604	/nfs/dbraw/zinc/89/66/04/568896604.db2.gz	RSYAWAWPIGQYNJ-NRFANRHFSA-N	1	0	409.530	3.376	50	70		HGIARO
C[NH+](C)CCN(C(=O)c1ncccn1)c1nc2ccc(OC(F)(F)F)cc2s1	ZINC000217462114	568882001	/nfs/dbraw/zinc/88/20/01/568882001.db2.gz	NSQZRVGEMYRTHI-UHFFFAOYSA-N	1	0	411.409	3.193	50	70		HGIARO