smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCCN(C[C@H](O)C[NH3+])CC1	34676247	343124462	/nfs/dbraw/zinc/12/44/62/343124462.db2.gz	FLMNHCVOACSQQB-SECBINFHSA-N	2	1	187.287	-1.057	40	0		AAABMP
CCOC(=O)[C@@H]([NH3+])CC[C@H](O)C[NH3+]	72201421	167346750	/nfs/dbraw/zinc/34/67/50/167346750.db2.gz	ZOGVDEMOCCKEAJ-BQBZGAKWSA-N	2	1	190.243	-1.023	40	0		AAABMP
CCOC(=O)[C@@H]([NH3+])CC[C@@H](O)C[NH3+]	72201423	167346813	/nfs/dbraw/zinc/34/68/13/167346813.db2.gz	ZOGVDEMOCCKEAJ-RQJHMYQMSA-N	2	1	190.243	-1.023	40	0		AAABMP
CCOC(=O)[C@H]([NH3+])CC[C@@H](O)C[NH3+]	72201422	167359152	/nfs/dbraw/zinc/35/91/52/167359152.db2.gz	ZOGVDEMOCCKEAJ-RNFRBKRXSA-N	2	1	190.243	-1.023	40	0		AAABMP
CCOC(=O)[C@H]([NH3+])CC[C@H](O)C[NH3+]	72201420	167359877	/nfs/dbraw/zinc/35/98/77/167359877.db2.gz	ZOGVDEMOCCKEAJ-NKWVEPMBSA-N	2	1	190.243	-1.023	40	0		AAABMP
COC[C@@H](O)C[NH2+]CC[NH3+]	19365100	168183219	/nfs/dbraw/zinc/18/32/19/168183219.db2.gz	VTEDRAGIWQLNPA-LURJTMIESA-N	2	1	148.206	-1.458	40	0		AAABMP
COC[C@H](O)C[NH2+]CC[NH3+]	22871064	168190910	/nfs/dbraw/zinc/19/09/10/168190910.db2.gz	VTEDRAGIWQLNPA-ZCFIWIBFSA-N	2	1	148.206	-1.458	40	0		AAABMP
NC(=[NH2+])CC[NH+](CCO)CCO	26896751	169136453	/nfs/dbraw/zinc/13/64/53/169136453.db2.gz	BETTYUGZSWLRAK-UHFFFAOYSA-N	2	1	175.232	-1.401	40	0		AAABMP
[NH3+]CC[NH2+]CCN1CC1	19366387	169190666	/nfs/dbraw/zinc/19/06/66/169190666.db2.gz	XJNAQZHMIAKQOK-UHFFFAOYSA-N	2	1	129.207	-1.150	40	0		AAABMP
[NH3+]CC[NH2+]CCN1CC[NH2+]CC1	22590344	169191132	/nfs/dbraw/zinc/19/11/32/169191132.db2.gz	WBIWIXJUBVWKLS-UHFFFAOYSA-N	3	1	172.276	-1.560	40	0	in-vitro	AAABMP
[NH3+]CCNCCN1CC[NH2+]CC1	22590344	169191133	/nfs/dbraw/zinc/19/11/33/169191133.db2.gz	WBIWIXJUBVWKLS-UHFFFAOYSA-N	2	1	172.276	-1.560	40	0	in-vitro	AAABMP
[NH3+]C[C@@H]([NH3+])C1COC1	83428660	169203934	/nfs/dbraw/zinc/20/39/34/169203934.db2.gz	MJDRJBCPSCEADJ-RXMQYKEDSA-N	2	1	116.164	-1.081	40	0		AAABMP
[NH3+]C[C@@H]1C[C@@H](O)C[NH2+]1	83339420	169210112	/nfs/dbraw/zinc/21/01/12/169210112.db2.gz	VPKJBJVGUAQJOS-CRCLSJGQSA-N	2	1	116.164	-1.332	40	0	in-vitro	AAABMP
[NH3+]C[C@@H]1C[C@H](O)C[NH2+]1	85081251	169210827	/nfs/dbraw/zinc/21/08/27/169210827.db2.gz	VPKJBJVGUAQJOS-WHFBIAKZSA-N	2	1	116.164	-1.332	40	0	in-vitro	AAABMP
[NH3+]C[C@H]([NH3+])C1COC1	83428661	169212107	/nfs/dbraw/zinc/21/21/07/169212107.db2.gz	MJDRJBCPSCEADJ-YFKPBYRVSA-N	2	1	116.164	-1.081	40	0		AAABMP
[NH3+]C[C@H]1C[C@H](O)C[NH2+]1	85081254	169217521	/nfs/dbraw/zinc/21/75/21/169217521.db2.gz	VPKJBJVGUAQJOS-UHNVWZDZSA-N	2	1	116.164	-1.332	40	0	in-vitro	AAABMP
[NH3+]C[C@H]1C[C@@H](O)C[NH2+]1	83339421	169217582	/nfs/dbraw/zinc/21/75/82/169217582.db2.gz	VPKJBJVGUAQJOS-RFZPGFLSSA-N	2	1	116.164	-1.332	40	0	in-vitro	AAABMP
[NH2+]=C1NC(=[NH2+])N1	5412988	207351565	/nfs/dbraw/zinc/35/15/65/207351565.db2.gz	QXDYNPCYLIQHSU-UHFFFAOYSA-N	2	1	84.082	-1.371	40	0		AAABMP
C[N@H+]1C[C@@H]2[C@H](NC(N)=[NH+][C@H]2N)C1(C)C	16911528	343044694	/nfs/dbraw/zinc/04/46/94/343044694.db2.gz	KDNBZCWCBFGCLL-DSYKOEDSSA-N	2	1	197.286	-1.102	40	0		AAABMP
C[N@H+]1CCCN(C[C@@H](O)C[NH3+])CC1	20217569	343069395	/nfs/dbraw/zinc/06/93/95/343069395.db2.gz	FLMNHCVOACSQQB-VIFPVBQESA-N	2	1	187.287	-1.057	40	0		AAABMP
C[N@H+]1CC[C@@H](NC(=O)C[NH3+])C1	42548959	343246859	/nfs/dbraw/zinc/24/68/59/343246859.db2.gz	CYXORPPMGMRFCQ-ZCFIWIBFSA-N	2	1	157.217	-1.235	40	0		AAABMP
C[N@H+]1CC[C@H](NC(=O)C[NH3+])C1	42548956	343247064	/nfs/dbraw/zinc/24/70/64/343247064.db2.gz	CYXORPPMGMRFCQ-LURJTMIESA-N	2	1	157.217	-1.235	40	0		AAABMP
C[N@@H+](CCO)C[C@H](O)C[NH3+]	72209953	343563271	/nfs/dbraw/zinc/56/32/71/343563271.db2.gz	YVRGQPMXGQHXPQ-ZCFIWIBFSA-N	2	1	148.206	-1.770	40	0		AAABMP
C[N@@H+](CCO)C[C@@H](O)C[NH3+]	72209954	343563490	/nfs/dbraw/zinc/56/34/90/343563490.db2.gz	YVRGQPMXGQHXPQ-LURJTMIESA-N	2	1	148.206	-1.770	40	0		AAABMP
CC(C)[C@@H]([NH3+])C(=O)NC(N)=[NH2+]	256053935	344939472	/nfs/dbraw/zinc/93/94/72/344939472.db2.gz	UFQYXXXOKIGCSA-SCSAIBSYSA-N	2	1	158.205	-1.021	40	0		AAABMP
CC(C)[C@H]([NH3+])C(=O)NC(N)=[NH2+]	256053934	344939700	/nfs/dbraw/zinc/93/97/00/344939700.db2.gz	UFQYXXXOKIGCSA-BYPYZUCNSA-N	2	1	158.205	-1.021	40	0		AAABMP
C[N@@H+]1C[C@@H]2COCCN2C2(C[NH2+]C2)C1	604381890	346962718	/nfs/dbraw/zinc/96/27/18/346962718.db2.gz	TYNLTHNNUPCDAT-SECBINFHSA-N	2	1	197.282	-1.025	40	0	biogenic,in-vitro	AAABMP
C[N@H+]1C[C@@H]2COCCN2C2(C[NH2+]C2)C1	604381890	346962720	/nfs/dbraw/zinc/96/27/20/346962720.db2.gz	TYNLTHNNUPCDAT-SECBINFHSA-N	2	1	197.282	-1.025	40	0	biogenic,in-vitro	AAABMP
OC1C[NH2+]CC(O)C[NH2+]C1	33368113	351430301	/nfs/dbraw/zinc/43/03/01/351430301.db2.gz	OUHNIVNXFPHDJI-UHFFFAOYSA-N	2	1	146.190	-2.099	40	0		AAABMP