smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1	ZINC000161267965	519673975	/nfs/dbraw/zinc/67/39/75/519673975.db2.gz	XYTMCDRPDKCJEF-KRWDZBQOSA-N	1	3	306.425	3.502	20	70		DHIDHO
C[NH+]1CCC(CCNCc2c(Cl)oc3ccccc32)CC1	ZINC000161016188	332275743	/nfs/dbraw/zinc/27/57/43/332275743.db2.gz	PQCRDFUCLSFELD-UHFFFAOYSA-N	1	3	306.837	3.908	20	70		DHIDHO
COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2	ZINC000160468764	525587516	/nfs/dbraw/zinc/58/75/16/525587516.db2.gz	CHOMLUCWAAYNKR-HXUWFJFHSA-N	1	3	314.473	3.679	20	70		DHIDHO
COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)ccc1SC	ZINC000161101115	522948155	/nfs/dbraw/zinc/94/81/55/522948155.db2.gz	OCJPLFFQDYPCEI-BPUTZDHNSA-N	1	3	322.518	3.941	20	70		DHIDHO
C[NH+](C)Cc1ccc(CN[C@@H]2CCCc3sccc32)cc1	ZINC000160881720	333677512	/nfs/dbraw/zinc/67/75/12/333677512.db2.gz	RVWAGWLTZSUYKL-QGZVFWFLSA-N	1	3	300.471	3.977	20	70		DHIDHO
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1(Sc2ccccc2)CC1	ZINC000160486125	524909621	/nfs/dbraw/zinc/90/96/21/524909621.db2.gz	JSUGHZIAVHWYJA-VYDXJSESSA-N	1	3	304.503	3.630	20	70		DHIDHO
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1(Sc2ccccc2)CC1	ZINC000160486125	524909629	/nfs/dbraw/zinc/90/96/29/524909629.db2.gz	JSUGHZIAVHWYJA-VYDXJSESSA-N	1	3	304.503	3.630	20	70		DHIDHO
Cc1cccc(NC2CC[NH+](CCCN3CCCCC3)CC2)c1	ZINC000161435773	524671440	/nfs/dbraw/zinc/67/14/40/524671440.db2.gz	WWQWPKGRBYFEFM-UHFFFAOYSA-N	1	3	315.505	3.747	20	70		DHIDHO
Cc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1	ZINC000160904208	524604744	/nfs/dbraw/zinc/60/47/44/524604744.db2.gz	DKHIGHWOKQPKGB-OAHLLOKOSA-N	1	3	318.486	3.848	20	70		DHIDHO
Cc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)s1	ZINC000160918884	524605941	/nfs/dbraw/zinc/60/59/41/524605941.db2.gz	JNWPNTOWVDSYEI-OAHLLOKOSA-N	1	3	318.486	3.848	20	70		DHIDHO
CC(C)[C@@H](C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1	ZINC000159714673	519792374	/nfs/dbraw/zinc/79/23/74/519792374.db2.gz	CMGXGUSZJKBMIX-GOSISDBHSA-N	1	3	318.505	3.692	20	70		DHIDHO
CC[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434726	522202883	/nfs/dbraw/zinc/20/28/83/522202883.db2.gz	QLUCWJXGDAVNIN-QLFBSQMISA-N	1	3	310.869	3.570	20	70		DHIDHO
CC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434726	522202894	/nfs/dbraw/zinc/20/28/94/522202894.db2.gz	QLUCWJXGDAVNIN-QLFBSQMISA-N	1	3	310.869	3.570	20	70		DHIDHO
COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)ccc1SC	ZINC000161100885	522948055	/nfs/dbraw/zinc/94/80/55/522948055.db2.gz	OCJPLFFQDYPCEI-IMJJTQAJSA-N	1	3	322.518	3.941	20	70		DHIDHO
Cc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1	ZINC000160904085	524594535	/nfs/dbraw/zinc/59/45/35/524594535.db2.gz	DKHIGHWOKQPKGB-HNNXBMFYSA-N	1	3	318.486	3.848	20	70		DHIDHO
C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1(Sc2ccccc2)CC1	ZINC000160485998	524915531	/nfs/dbraw/zinc/91/55/31/524915531.db2.gz	JSUGHZIAVHWYJA-INMHGKMJSA-N	1	3	304.503	3.630	20	70		DHIDHO
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1(Sc2ccccc2)CC1	ZINC000160485998	524915539	/nfs/dbraw/zinc/91/55/39/524915539.db2.gz	JSUGHZIAVHWYJA-INMHGKMJSA-N	1	3	304.503	3.630	20	70		DHIDHO
CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434548	522202141	/nfs/dbraw/zinc/20/21/41/522202141.db2.gz	QLUCWJXGDAVNIN-RBSFLKMASA-N	1	3	310.869	3.570	20	70		DHIDHO
CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434548	522202151	/nfs/dbraw/zinc/20/21/51/522202151.db2.gz	QLUCWJXGDAVNIN-RBSFLKMASA-N	1	3	310.869	3.570	20	70		DHIDHO
C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1(Sc2ccccc2)CC1	ZINC000160486249	524914095	/nfs/dbraw/zinc/91/40/95/524914095.db2.gz	JSUGHZIAVHWYJA-BFYDXBDKSA-N	1	3	304.503	3.630	20	70		DHIDHO
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1(Sc2ccccc2)CC1	ZINC000160486249	524914110	/nfs/dbraw/zinc/91/41/10/524914110.db2.gz	JSUGHZIAVHWYJA-BFYDXBDKSA-N	1	3	304.503	3.630	20	70		DHIDHO
COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2	ZINC000160468912	525575023	/nfs/dbraw/zinc/57/50/23/525575023.db2.gz	CHOMLUCWAAYNKR-FQEVSTJZSA-N	1	3	314.473	3.679	20	70		DHIDHO
Cc1ccc(C(=O)CCN2CCC(CCC[NH+](C)C)CC2)cc1	ZINC000161331571	337580927	/nfs/dbraw/zinc/58/09/27/337580927.db2.gz	KKYYHERKIWVMBZ-UHFFFAOYSA-N	1	3	316.489	3.622	20	70		DHIDHO
CC[N@@H+]1CC[C@@H](NCC2(Sc3ccccc3)CC2)[C@H](C)C1	ZINC000160481500	521714828	/nfs/dbraw/zinc/71/48/28/521714828.db2.gz	OFLVHONKLNMVTO-NVXWUHKLSA-N	1	3	304.503	3.631	20	70		DHIDHO
CC[N@H+]1CC[C@@H](NCC2(Sc3ccccc3)CC2)[C@H](C)C1	ZINC000160481500	521714829	/nfs/dbraw/zinc/71/48/29/521714829.db2.gz	OFLVHONKLNMVTO-NVXWUHKLSA-N	1	3	304.503	3.631	20	70		DHIDHO
CC[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434629	522553799	/nfs/dbraw/zinc/55/37/99/522553799.db2.gz	QLUCWJXGDAVNIN-ILXRZTDVSA-N	1	3	310.869	3.570	20	70		DHIDHO
CC[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434629	522553807	/nfs/dbraw/zinc/55/38/07/522553807.db2.gz	QLUCWJXGDAVNIN-ILXRZTDVSA-N	1	3	310.869	3.570	20	70		DHIDHO
Cc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1	ZINC000160918749	524594334	/nfs/dbraw/zinc/59/43/34/524594334.db2.gz	JNWPNTOWVDSYEI-HNNXBMFYSA-N	1	3	318.486	3.848	20	70		DHIDHO
CC[N@@H+]1CC[C@H](NCC2(Sc3ccccc3)CC2)[C@H](C)C1	ZINC000160481369	521721341	/nfs/dbraw/zinc/72/13/41/521721341.db2.gz	OFLVHONKLNMVTO-WBVHZDCISA-N	1	3	304.503	3.631	20	70		DHIDHO
CC[N@H+]1CC[C@H](NCC2(Sc3ccccc3)CC2)[C@H](C)C1	ZINC000160481369	521721342	/nfs/dbraw/zinc/72/13/42/521721342.db2.gz	OFLVHONKLNMVTO-WBVHZDCISA-N	1	3	304.503	3.631	20	70		DHIDHO
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1(Sc2ccccc2)CC1	ZINC000160486373	524910359	/nfs/dbraw/zinc/91/03/59/524910359.db2.gz	JSUGHZIAVHWYJA-HLLBOEOZSA-N	1	3	304.503	3.630	20	70		DHIDHO
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1(Sc2ccccc2)CC1	ZINC000160486373	524910370	/nfs/dbraw/zinc/91/03/70/524910370.db2.gz	JSUGHZIAVHWYJA-HLLBOEOZSA-N	1	3	304.503	3.630	20	70		DHIDHO
COc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)ccc1SC	ZINC000161101003	522909748	/nfs/dbraw/zinc/90/97/48/522909748.db2.gz	OCJPLFFQDYPCEI-BMFZPTHFSA-N	1	3	322.518	3.941	20	70		DHIDHO
COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1	ZINC000161090381	333805779	/nfs/dbraw/zinc/80/57/79/333805779.db2.gz	FHHIFRFWSMETFC-ATLSCFEFSA-N	1	3	304.478	3.650	20	70		DHIDHO
CC(C)N1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1	ZINC000161267841	519673204	/nfs/dbraw/zinc/67/32/04/519673204.db2.gz	XYTMCDRPDKCJEF-QGZVFWFLSA-N	1	3	306.425	3.502	20	70		DHIDHO
COc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)ccc1SC	ZINC000161101232	522909434	/nfs/dbraw/zinc/90/94/34/522909434.db2.gz	OCJPLFFQDYPCEI-KBMXLJTQSA-N	1	3	322.518	3.941	20	70		DHIDHO
CC[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434435	522549381	/nfs/dbraw/zinc/54/93/81/522549381.db2.gz	QLUCWJXGDAVNIN-KFWWJZLASA-N	1	3	310.869	3.570	20	70		DHIDHO
CC[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434435	522549386	/nfs/dbraw/zinc/54/93/86/522549386.db2.gz	QLUCWJXGDAVNIN-KFWWJZLASA-N	1	3	310.869	3.570	20	70		DHIDHO