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@@H](CSC)[NH2+]CCCN	217328490	572114255	/nfs/dbraw/zinc/11/42/55/572114255.db2.gz	COOUOSWWKHQQEB-QMMMGPOBSA-N	1	3	176.329	1.066	10	70		ADIEHO
CC[C@@H](CSC)NCCC[NH3+]	217328490	572114260	/nfs/dbraw/zinc/11/42/60/572114260.db2.gz	COOUOSWWKHQQEB-QMMMGPOBSA-N	1	3	176.329	1.066	10	70		ADIEHO
CC[C@H](CSC)[NH2+]CCCN	217328492	572116434	/nfs/dbraw/zinc/11/64/34/572116434.db2.gz	COOUOSWWKHQQEB-MRVPVSSYSA-N	1	3	176.329	1.066	10	70		ADIEHO
CC[C@H](CSC)NCCC[NH3+]	217328492	572116442	/nfs/dbraw/zinc/11/64/42/572116442.db2.gz	COOUOSWWKHQQEB-MRVPVSSYSA-N	1	3	176.329	1.066	10	70		ADIEHO
CC[C@H](CSC)NC1CC([NH3+])C1	217328641	572119875	/nfs/dbraw/zinc/11/98/75/572119875.db2.gz	FRNKIDHWTDCMDC-QJAFJHJLSA-N	1	3	188.340	1.207	10	70		ADIEHO
CC[C@H](CSC)[NH2+]C1CC(N)C1	217328641	572119879	/nfs/dbraw/zinc/11/98/79/572119879.db2.gz	FRNKIDHWTDCMDC-QJAFJHJLSA-N	1	3	188.340	1.207	10	70		ADIEHO
CC[C@@H](CSC)NC1CC([NH3+])C1	217328640	572120466	/nfs/dbraw/zinc/12/04/66/572120466.db2.gz	FRNKIDHWTDCMDC-MGURRDGZSA-N	1	3	188.340	1.207	10	70		ADIEHO
CC[C@@H](CSC)[NH2+]C1CC(N)C1	217328640	572120473	/nfs/dbraw/zinc/12/04/73/572120473.db2.gz	FRNKIDHWTDCMDC-MGURRDGZSA-N	1	3	188.340	1.207	10	70		ADIEHO
CCC[C@H](C)CNCC[NH2+]CC	161321312	486979549	/nfs/dbraw/zinc/97/95/49/486979549.db2.gz	ZXTDVUNKHLGPIJ-JTQLQIEISA-N	1	3	172.316	1.622	10	70		ADIEHO
C[NH2+]CCNCC1CCC(C)CC1	161245690	486979697	/nfs/dbraw/zinc/97/96/97/486979697.db2.gz	JIEYRLJRMRZYEY-UHFFFAOYSA-N	1	3	184.327	1.622	10	70		ADIEHO
CCC[C@@H](C)CNCC[NH2+]C	161273135	486979855	/nfs/dbraw/zinc/97/98/55/486979855.db2.gz	RMOJEYVAYVRMQY-SECBINFHSA-N	1	3	158.289	1.232	10	70		ADIEHO
CCC[C@H](C)CNCC[NH2+]C	161273283	486980168	/nfs/dbraw/zinc/98/01/68/486980168.db2.gz	RMOJEYVAYVRMQY-VIFPVBQESA-N	1	3	158.289	1.232	10	70		ADIEHO
CCC[C@@H](C)CNCC[NH2+]CC	161321180	486980293	/nfs/dbraw/zinc/98/02/93/486980293.db2.gz	ZXTDVUNKHLGPIJ-SNVBAGLBSA-N	1	3	172.316	1.622	10	70		ADIEHO
CNC[C@@H]1CCC[N@@H+]([C@@H](C)C(C)C)C1	218067651	490069285	/nfs/dbraw/zinc/06/92/85/490069285.db2.gz	PWFLYUHVMMHMDG-RYUDHWBXSA-N	1	3	198.354	1.962	10	70		ADIEHO
CNC[C@@H]1CCC[N@H+]([C@@H](C)C(C)C)C1	218067651	490069287	/nfs/dbraw/zinc/06/92/87/490069287.db2.gz	PWFLYUHVMMHMDG-RYUDHWBXSA-N	1	3	198.354	1.962	10	70		ADIEHO
C[C@H](CN1CCCC1=[NH2+])N1CCCC1	161284940	344189069	/nfs/dbraw/zinc/18/90/69/344189069.db2.gz	IKUANDKMYLIROJ-SNVBAGLBSA-N	1	3	195.310	1.544	10	70		ADIEHO
C[C@@H](CN1CCCC1=[NH2+])N1CCCC1	161284798	344189074	/nfs/dbraw/zinc/18/90/74/344189074.db2.gz	IKUANDKMYLIROJ-JTQLQIEISA-N	1	3	195.310	1.544	10	70		ADIEHO