smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)CCCNc1c2ccccc2nc2c1CCCC2	ZINC000001555405	570501950	/nfs/dbraw/zinc/50/19/50/570501950.db2.gz	BMFARSVFFHZXTD-UHFFFAOYSA-N	1	3	367.581	5.818	40	0		FKABHO
CC[NH+](CC)CCC[C@H](C)Nc1c2cc(OC)ccc2nc2c1CCCC2	ZINC000001591926	204013552	/nfs/dbraw/zinc/01/35/52/204013552.db2.gz	IPOMDZLYRWCOMB-KRWDZBQOSA-N	1	3	369.553	5.045	40	0		FKABHO
CC[NH+](CC)CCC[C@H](C)Nc1ccnc2ccc(-c3ccccc3)cc21	ZINC000001701462	204017304	/nfs/dbraw/zinc/01/73/04/204017304.db2.gz	ZDZDHZGQXJEQAW-IBGZPJMESA-N	1	3	361.533	5.824	40	0		FKABHO
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc(/C=C\c2ccc(Cl)cc2)c1	ZINC000005121126	207081843	/nfs/dbraw/zinc/08/18/43/207081843.db2.gz	FIDFDSHBKIWNIN-ADYSOMBNSA-N	1	3	371.956	5.828	40	0		FKABHO
CC[NH+](CC)CCC[C@H](C)Nc1ccnc(/C=C\c2ccc(Cl)cc2)c1	ZINC000005121128	210602314	/nfs/dbraw/zinc/60/23/14/210602314.db2.gz	FIDFDSHBKIWNIN-GFBZKKKVSA-N	1	3	371.956	5.828	40	0		FKABHO
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc(/C=C/c2ccc(Cl)cc2)c1	ZINC000005125258	207081555	/nfs/dbraw/zinc/08/15/55/207081555.db2.gz	FIDFDSHBKIWNIN-LVMGUKCRSA-N	1	3	371.956	5.828	40	0		FKABHO
CC[NH+](CC)CCC[C@H](C)Nc1ccnc(/C=C/c2ccc(Cl)cc2)c1	ZINC000005125259	207081808	/nfs/dbraw/zinc/08/18/08/207081808.db2.gz	FIDFDSHBKIWNIN-HGZMWJMZSA-N	1	3	371.956	5.828	40	0		FKABHO
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2ccc(-c3ccccc3)cc21	ZINC000005561603	207107039	/nfs/dbraw/zinc/10/70/39/207107039.db2.gz	ZDZDHZGQXJEQAW-LJQANCHMSA-N	1	3	361.533	5.824	40	0		FKABHO
CC[NH+](CC)CCC[C@@H](C)Nc1c2cc(OC)ccc2nc2c1CCCC2	ZINC000006636704	570651135	/nfs/dbraw/zinc/65/11/35/570651135.db2.gz	IPOMDZLYRWCOMB-QGZVFWFLSA-N	1	3	369.553	5.045	40	0		FKABHO
C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1	ZINC000026440143	568648678	/nfs/dbraw/zinc/64/86/78/568648678.db2.gz	IWJZDETVJSSMLD-LPPUWEFUSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1	ZINC000026440143	568648677	/nfs/dbraw/zinc/64/86/77/568648677.db2.gz	IWJZDETVJSSMLD-LPPUWEFUSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1	ZINC000026440148	568648657	/nfs/dbraw/zinc/64/86/57/568648657.db2.gz	IWJZDETVJSSMLD-RMUDUWAUSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1	ZINC000026440148	568648656	/nfs/dbraw/zinc/64/86/56/568648656.db2.gz	IWJZDETVJSSMLD-RMUDUWAUSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1	ZINC000026440152	568648693	/nfs/dbraw/zinc/64/86/93/568648693.db2.gz	IWJZDETVJSSMLD-QGDZQMKYSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1	ZINC000026440152	568648692	/nfs/dbraw/zinc/64/86/92/568648692.db2.gz	IWJZDETVJSSMLD-QGDZQMKYSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1	ZINC000026440154	568648670	/nfs/dbraw/zinc/64/86/70/568648670.db2.gz	IWJZDETVJSSMLD-BYXVTNLJSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1	ZINC000026440154	568648669	/nfs/dbraw/zinc/64/86/69/568648669.db2.gz	IWJZDETVJSSMLD-BYXVTNLJSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@@H]1C[C@@H](C)C[NH+](C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000028632075	210166761	/nfs/dbraw/zinc/16/67/61/210166761.db2.gz	LSGLXOBUBXDHFI-FDIHYXAFSA-N	1	3	354.582	5.155	40	0		FKABHO
C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000028632078	571150518	/nfs/dbraw/zinc/15/05/18/571150518.db2.gz	LSGLXOBUBXDHFI-QTBVYMFASA-N	1	3	354.582	5.155	40	0		FKABHO
C[C@@H]1C[C@H](C)C[N@H+](C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000028632078	571150515	/nfs/dbraw/zinc/15/05/15/571150515.db2.gz	LSGLXOBUBXDHFI-QTBVYMFASA-N	1	3	354.582	5.155	40	0		FKABHO
C[C@H]1C[C@H](C)C[NH+](C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000028632079	210166522	/nfs/dbraw/zinc/16/65/22/210166522.db2.gz	LSGLXOBUBXDHFI-LHAJZYKRSA-N	1	3	354.582	5.155	40	0		FKABHO
Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccc(F)c4)CC3)CC2)s1	ZINC000096047233	570473351	/nfs/dbraw/zinc/47/33/51/570473351.db2.gz	RIHYZUQTMAHCRQ-UHFFFAOYSA-N	1	3	372.553	5.074	40	0		FKABHO
Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccc(F)cc4)CC3)CC2)cc1	ZINC000096047261	570473922	/nfs/dbraw/zinc/47/39/22/570473922.db2.gz	MXUBYYQNMRICNR-UHFFFAOYSA-N	1	3	366.524	5.012	40	0		FKABHO
Cc1ccc(CN2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)s1	ZINC000096047377	570473914	/nfs/dbraw/zinc/47/39/14/570473914.db2.gz	BRLVDAGGQZIIQT-UHFFFAOYSA-N	1	3	368.590	5.243	40	0		FKABHO
Cc1ccc(CN2CCC3(CCC[N@H+](Cc4ccc(C)cc4)C3)CC2)s1	ZINC000096047377	570473912	/nfs/dbraw/zinc/47/39/12/570473912.db2.gz	BRLVDAGGQZIIQT-UHFFFAOYSA-N	1	3	368.590	5.243	40	0		FKABHO
Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4ccc(F)cc4)CC3)C2)cc1	ZINC000096047378	209099162	/nfs/dbraw/zinc/09/91/62/209099162.db2.gz	BMQLGLGGFCZOGH-UHFFFAOYSA-N	1	3	366.524	5.012	40	0		FKABHO
Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4ccc(F)cc4)CC3)C2)cc1	ZINC000096047378	209099157	/nfs/dbraw/zinc/09/91/57/209099157.db2.gz	BMQLGLGGFCZOGH-UHFFFAOYSA-N	1	3	366.524	5.012	40	0		FKABHO
C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1	ZINC000245227260	525618255	/nfs/dbraw/zinc/61/82/55/525618255.db2.gz	IWJZDETVJSSMLD-MZBJOSPHSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1	ZINC000245227260	525618249	/nfs/dbraw/zinc/61/82/49/525618249.db2.gz	IWJZDETVJSSMLD-MZBJOSPHSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1	ZINC000245227261	525566172	/nfs/dbraw/zinc/56/61/72/525566172.db2.gz	IWJZDETVJSSMLD-OUIFVKKZSA-N	1	3	370.540	5.396	40	0		FKABHO
C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1	ZINC000245227261	525566162	/nfs/dbraw/zinc/56/61/62/525566162.db2.gz	IWJZDETVJSSMLD-OUIFVKKZSA-N	1	3	370.540	5.396	40	0		FKABHO
C[N@@H+](CC1CCCCCCC1)C1CCC2(CC1)CNCc1ccccc1O2	ZINC000257257516	571321761	/nfs/dbraw/zinc/32/17/61/571321761.db2.gz	KPZAEYCJXRLDBH-UHFFFAOYSA-N	1	3	370.581	5.142	40	0		FKABHO
C[N@H+](CC1CCCCCCC1)C1CCC2(CC1)CNCc1ccccc1O2	ZINC000257257516	571321760	/nfs/dbraw/zinc/32/17/60/571321760.db2.gz	KPZAEYCJXRLDBH-UHFFFAOYSA-N	1	3	370.581	5.142	40	0		FKABHO
CCN1Cc2ccccc2OC2(CCC([N@@H+](C)CC3=CCCCC3)CC2)C1	ZINC000257286951	571318337	/nfs/dbraw/zinc/31/83/37/571318337.db2.gz	PNTYSVKMYRRBDT-UHFFFAOYSA-N	1	3	368.565	5.015	40	0		FKABHO
CCN1Cc2ccccc2OC2(CCC([N@H+](C)CC3=CCCCC3)CC2)C1	ZINC000257286951	571318336	/nfs/dbraw/zinc/31/83/36/571318336.db2.gz	PNTYSVKMYRRBDT-UHFFFAOYSA-N	1	3	368.565	5.015	40	0		FKABHO
CCN1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCC3)CC2)C1	ZINC000257333092	527993485	/nfs/dbraw/zinc/99/34/85/527993485.db2.gz	YACBARBSHOTRNY-UHFFFAOYSA-N	1	3	370.581	5.094	40	0		FKABHO
CCN1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCC3)CC2)C1	ZINC000257333092	527993479	/nfs/dbraw/zinc/99/34/79/527993479.db2.gz	YACBARBSHOTRNY-UHFFFAOYSA-N	1	3	370.581	5.094	40	0		FKABHO