smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CC[NH+](C)CC1	ZINC000217014603	525940885	/nfs/dbraw/zinc/94/08/85/525940885.db2.gz	GPAIGYJFOYTFTI-KRWDZBQOSA-N	1	0	355.482	2.361	40	70		FEIBRO
C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	ZINC000216919898	206360510	/nfs/dbraw/zinc/36/05/10/206360510.db2.gz	FUSWKCJDYOWFJS-UHFFFAOYSA-N	1	0	365.499	2.142	40	70		FEIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	ZINC000216906711	206361135	/nfs/dbraw/zinc/36/11/35/206361135.db2.gz	GRDNELWSPJZQLE-OAHLLOKOSA-N	1	0	365.499	2.142	40	70		FEIBRO
Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000217440578	206362642	/nfs/dbraw/zinc/36/26/42/206362642.db2.gz	KENZNGGRMGTOEI-RCCFBDPRSA-N	1	0	354.450	2.016	40	70		FEIBRO
C[NH+]1CCC(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1	ZINC000217021527	523759764	/nfs/dbraw/zinc/75/97/64/523759764.db2.gz	YIRNULXNIWPZCJ-UHFFFAOYSA-N	1	0	373.906	2.173	40	70		FEIBRO
Cc1cc(C(=O)NCC[NH+](C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2	ZINC000216892218	132271977	/nfs/dbraw/zinc/27/19/77/132271977.db2.gz	YVSCHVGKNROPFL-UHFFFAOYSA-N	1	0	373.478	2.092	40	70		FEIBRO
C[NH+]1CCC(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1	ZINC000216896700	523755794	/nfs/dbraw/zinc/75/57/94/523755794.db2.gz	PGYRQQZTSICDRC-MRXNPFEDSA-N	1	0	359.470	2.266	40	70		FEIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1	ZINC000216910239	523836958	/nfs/dbraw/zinc/83/69/58/523836958.db2.gz	PVDUDNGKMNKGJN-INIZCTEOSA-N	1	0	352.438	2.292	40	70		FEIBRO
C[NH+]1CCC(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1	ZINC000216896672	523756009	/nfs/dbraw/zinc/75/60/09/523756009.db2.gz	PGYRQQZTSICDRC-INIZCTEOSA-N	1	0	359.470	2.266	40	70		FEIBRO
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1CC[NH+](C)CC1	ZINC000216897213	521899088	/nfs/dbraw/zinc/89/90/88/521899088.db2.gz	DNKDFCHFKQUMGQ-UHFFFAOYSA-N	1	0	350.415	2.161	40	70		FEIBRO
CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CC[NH+](C)CC1	ZINC000217035167	522872201	/nfs/dbraw/zinc/87/22/01/522872201.db2.gz	IQZVBPCDAAPTKA-KRWDZBQOSA-N	1	0	353.894	2.251	40	70		FEIBRO
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CC[NH+](C)CC1	ZINC000217014560	525934810	/nfs/dbraw/zinc/93/48/10/525934810.db2.gz	GPAIGYJFOYTFTI-QGZVFWFLSA-N	1	0	355.482	2.361	40	70		FEIBRO
CCCNC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000217594704	519897027	/nfs/dbraw/zinc/89/70/27/519897027.db2.gz	TWPQSLJVCRVKOF-FCEWJHQRSA-N	1	0	357.498	2.150	40	70		FEIBRO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCCC1	ZINC000216914009	548679173	/nfs/dbraw/zinc/67/91/73/548679173.db2.gz	HAXNRDKUEHOKTF-HNNXBMFYSA-N	1	0	365.499	2.060	40	70		FEIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	ZINC000216906741	548679019	/nfs/dbraw/zinc/67/90/19/548679019.db2.gz	GRDNELWSPJZQLE-HNNXBMFYSA-N	1	0	365.499	2.142	40	70		FEIBRO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCCC1	ZINC000216913982	548679281	/nfs/dbraw/zinc/67/92/81/548679281.db2.gz	HAXNRDKUEHOKTF-OAHLLOKOSA-N	1	0	365.499	2.060	40	70		FEIBRO
C[NH+]1CCC(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1	ZINC000217022124	548680715	/nfs/dbraw/zinc/68/07/15/548680715.db2.gz	VETFCAYDEYKARO-UHFFFAOYSA-N	1	0	373.906	2.173	40	70		FEIBRO
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CC[NH+](C)CC1	ZINC000217035128	523042778	/nfs/dbraw/zinc/04/27/78/523042778.db2.gz	IQZVBPCDAAPTKA-QGZVFWFLSA-N	1	0	353.894	2.251	40	70		FEIBRO
CN1c2ccc(C(=O)NCCC[NH+](C)C)cc2-c2ccccc2S1(=O)=O	ZINC000216891251	132271503	/nfs/dbraw/zinc/27/15/03/132271503.db2.gz	WZNTXEMVRIGJIX-UHFFFAOYSA-N	1	0	373.478	2.174	40	70		FEIBRO
CC[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000216905421	522672837	/nfs/dbraw/zinc/67/28/37/522672837.db2.gz	JFPRCCDYSJIIMN-QGZVFWFLSA-N	1	0	352.500	2.389	40	70		FEIBRO
Cn1c2ccccc2cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1=O	ZINC000217567988	548682249	/nfs/dbraw/zinc/68/22/49/548682249.db2.gz	NBKGNXIGMLQADX-DOTOQJQBSA-N	1	0	361.445	2.320	40	70		FEIBRO
C[NH+]1CCC(CCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1	ZINC000217022572	548680218	/nfs/dbraw/zinc/68/02/18/548680218.db2.gz	QSAFDNNCMUPJMJ-UHFFFAOYSA-N	1	0	373.906	2.173	40	70		FEIBRO
O=c1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccc(O)cc2o1	ZINC000217559598	548682549	/nfs/dbraw/zinc/68/25/49/548682549.db2.gz	DQWGUKCFDDPOQF-DZGCQCFKSA-N	1	0	364.401	2.280	40	70		FEIBRO
Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000217440503	568183960	/nfs/dbraw/zinc/18/39/60/568183960.db2.gz	KENZNGGRMGTOEI-KSZLIROESA-N	1	0	354.450	2.016	40	70		FEIBRO
C[C@H]1C[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)C[C@H](C)O1	ZINC000217446578	568184333	/nfs/dbraw/zinc/18/43/33/568184333.db2.gz	AGRFRTKLCPEWTJ-SWMMZTDWSA-N	1	0	363.498	2.381	40	70		FEIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1	ZINC000216910208	523812051	/nfs/dbraw/zinc/81/20/51/523812051.db2.gz	PVDUDNGKMNKGJN-MRXNPFEDSA-N	1	0	352.438	2.292	40	70		FEIBRO
CC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000216905458	522370386	/nfs/dbraw/zinc/37/03/86/522370386.db2.gz	JFPRCCDYSJIIMN-KRWDZBQOSA-N	1	0	352.500	2.389	40	70		FEIBRO
COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1	ZINC000216844251	548678568	/nfs/dbraw/zinc/67/85/68/548678568.db2.gz	TZJWDDLSVSFKBQ-UHFFFAOYSA-N	1	0	353.422	2.335	40	70		FEIBRO