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]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(Br)cc1Br	ZINC000061892176	212026453	/nfs/dbraw/zinc/02/64/53/212026453.db2.gz	FWQNAAUNSAKLFM-RBZYPMLTSA-N	1	2	372.104	4.554	10	30		FJEELO
CC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCCCC2)cc1	ZINC000005688643	518465804	/nfs/dbraw/zinc/46/58/04/518465804.db2.gz	JLQQOSNIZMUROD-LTGZKZEYSA-N	1	2	352.438	4.811	10	30		FJEELO
N#CCC(=O)[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000022056785	263385333	/nfs/dbraw/zinc/38/53/33/263385333.db2.gz	MYTIELGBBUTMMA-DEOSSOPVSA-N	1	2	368.480	4.783	10	30	in-vitro	FJEELO
COc1ccc([C@@H](C)Nc2cc(C)[nH+]c(C)c2C#N)cc1Br	ZINC000301752502	568183187	/nfs/dbraw/zinc/18/31/87/568183187.db2.gz	BOKMRGUAEQZZJP-LLVKDONJSA-N	1	2	360.255	4.514	10	30		FJEELO
C=CCc1ccccc1OCCCCn1c2ccccc2[nH+]c1CCCO	ZINC000040225382	210045018	/nfs/dbraw/zinc/04/50/18/210045018.db2.gz	HJVZRFVKFQRSJV-UHFFFAOYSA-N	1	2	364.489	4.549	10	30		FJEELO
O=CCCc1c[nH+]cn1C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000006565691	204253775	/nfs/dbraw/zinc/25/37/75/204253775.db2.gz	OADMTLRGVCYWJT-UHFFFAOYSA-N	1	2	366.464	4.855	10	30	in-vitro	FJEELO
Clc1ccccc1C[NH+]1CCN(/N=C\c2cccc3ccccc23)CC1	ZINC000019771358	570902584	/nfs/dbraw/zinc/90/25/84/570902584.db2.gz	IAJVUCMQBKWXSC-JLPGSUDCSA-N	1	2	363.892	4.645	10	30		FJEELO
Oc1ccc([NH2+]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000103598045	571072072	/nfs/dbraw/zinc/07/20/72/571072072.db2.gz	OAQJMYRRCZEOOD-UHFFFAOYSA-N	1	2	355.200	4.662	10	30		FJEELO
N#CCC(=O)[C@@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000098091803	222228716	/nfs/dbraw/zinc/22/87/16/222228716.db2.gz	MYTIELGBBUTMMA-XMMPIXPASA-N	1	2	368.480	4.783	10	30		FJEELO
O=[N+]([O-])c1cc(C=NNc2cc[nH+]c3cc(Cl)ccc23)ccc1Cl	ZINC000005603525	263342184	/nfs/dbraw/zinc/34/21/84/263342184.db2.gz	BAJXOYXGGNYKRA-AWQFTUOYSA-N	1	2	361.188	4.896	10	30		FJEELO
C[C@@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(Br)cc1Br	ZINC000061892177	221135290	/nfs/dbraw/zinc/13/52/90/221135290.db2.gz	FWQNAAUNSAKLFM-RULNRJAQSA-N	1	2	372.104	4.554	10	30		FJEELO
CC(C)c1ccc(/C=N\N2CC[NH+](Cc3ccccc3Cl)CC2)cc1	ZINC000019771429	263376366	/nfs/dbraw/zinc/37/63/66/263376366.db2.gz	QYVBAMNHWODIHF-HAHDFKILSA-N	1	2	355.913	4.615	10	30		FJEELO
COc1cc(OC)c(OC)cc1/C=[NH+]/CC1(c2ccccc2)CCCC1	ZINC000100021084	522820581	/nfs/dbraw/zinc/82/05/81/522820581.db2.gz	JZIAGQFVOFBYQI-HZHRSRAPSA-N	1	2	353.462	4.643	10	30		FJEELO