smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)C)nn1	ZINC000003838647	483408783	/nfs/dbraw/zinc/40/87/83/483408783.db2.gz	ARTRYHKUYFBLMW-BMFZPTHFSA-N	2	1	350.467	-0.187	40	0	biogenic,in-vitro	FBABMP
COC[C@H]1CCC[N@H+]1[C@H]1[C@@H](CNC2CC[NH+](C)CC2)O[C@@H](CO)[C@H]1O	ZINC000020465325	206331889	/nfs/dbraw/zinc/33/18/89/206331889.db2.gz	PJEWWGCZLSFARK-DFBDCSAJSA-N	3	1	357.495	-0.730	40	0	biogenic,in-vitro	FBABMP
COc1ccc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CC[NH+](C)CC3)[C@H]2O)cc1	ZINC000022922134	206395622	/nfs/dbraw/zinc/39/56/22/206395622.db2.gz	SQMPEAHANXXWJL-IEWDOMPSSA-N	2	1	363.458	-0.115	40	0	biogenic,in-vitro	FBABMP
O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H]1O)c1ccccc1	ZINC000077264606	208198412	/nfs/dbraw/zinc/19/84/12/208198412.db2.gz	FDIZBGQZKYSBBR-OAGGEKHMSA-N	2	1	355.460	-0.565	40	0	biogenic,in-vitro	FBABMP
C[NH+]1CCN(Cc2nnc(CN3CC[NH+](C)CC3)n2-n2cccc2)CC1	ZINC000225151797	483892277	/nfs/dbraw/zinc/89/22/77/483892277.db2.gz	XJISFPXVUKKRGH-UHFFFAOYSA-N	2	1	358.494	-0.114	40	0		FBABMP
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH+](C)CC3)[C@@H](O)[C@H]2O1	ZINC000225513261	484818217	/nfs/dbraw/zinc/81/82/17/484818217.db2.gz	HSNZWKMAEPQUFN-GRLWTPEZSA-N	2	1	355.479	-0.129	40	0	biogenic,in-vitro	FBABMP
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH+](C)CC3)[C@@H](O)[C@H]2O1	ZINC000225515823	484819880	/nfs/dbraw/zinc/81/98/80/484819880.db2.gz	LNEAGQICTPBRNN-GRLWTPEZSA-N	2	1	371.478	-0.891	40	0	biogenic,in-vitro	FBABMP
O=C(CN1CC[NH+](CCO)CC1)N1CCC[C@@](O)(C[NH+]2CCCC2)CC1	ZINC000257287224	223051454	/nfs/dbraw/zinc/05/14/54/223051454.db2.gz	PPBVDQUQAAHBQK-IBGZPJMESA-N	2	1	368.522	-0.564	40	0		FBABMP
O=C(CN1CC[NH+](CCO)CC1)N1CCC[C@](O)(C[NH+]2CCCC2)CC1	ZINC000257287225	484266500	/nfs/dbraw/zinc/26/65/00/484266500.db2.gz	PPBVDQUQAAHBQK-LJQANCHMSA-N	2	1	368.522	-0.564	40	0		FBABMP
C[N@@H+](CC1CCN(C(=O)C2([NH3+])CCCC2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585287731	483830657	/nfs/dbraw/zinc/83/06/57/483830657.db2.gz	CUGIFSJGLBITLP-OAGGEKHMSA-N	2	1	355.479	-0.451	40	0		FBABMP
C[NH+](C1CCN(C(=O)[C@]2(C)CCC[N@H+]2C)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288352	483831394	/nfs/dbraw/zinc/83/13/94/483831394.db2.gz	WVOCILQJNKDKMW-CBZIJGRNSA-N	2	1	355.479	-0.486	40	0		FBABMP
C[NH+](C1CCN(C(=O)[C@]2(C)CCC[N@@H+]2C)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288352	483831393	/nfs/dbraw/zinc/83/13/93/483831393.db2.gz	WVOCILQJNKDKMW-CBZIJGRNSA-N	2	1	355.479	-0.486	40	0		FBABMP
C[N@@H+](C1CCN(C(=O)[C@]2(C)CCC[NH+]2C)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288352	483831392	/nfs/dbraw/zinc/83/13/92/483831392.db2.gz	WVOCILQJNKDKMW-CBZIJGRNSA-N	2	1	355.479	-0.486	40	0		FBABMP
C[NH+](C1CCN(C(=O)[C@@]2(C)CCC[N@H+]2C)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288353	483831413	/nfs/dbraw/zinc/83/14/13/483831413.db2.gz	WVOCILQJNKDKMW-XLMAVXFVSA-N	2	1	355.479	-0.486	40	0		FBABMP
C[NH+](C1CCN(C(=O)[C@@]2(C)CCC[N@@H+]2C)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288353	483831412	/nfs/dbraw/zinc/83/14/12/483831412.db2.gz	WVOCILQJNKDKMW-XLMAVXFVSA-N	2	1	355.479	-0.486	40	0		FBABMP
C[N@@H+](C1CCN(C(=O)[C@@]2(C)CCC[NH+]2C)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288353	483831411	/nfs/dbraw/zinc/83/14/11/483831411.db2.gz	WVOCILQJNKDKMW-XLMAVXFVSA-N	2	1	355.479	-0.486	40	0		FBABMP
C[NH+](C)CCC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585290797	483831246	/nfs/dbraw/zinc/83/12/46/483831246.db2.gz	FTRSUMLXIFWEMK-CVEARBPZSA-N	2	1	357.476	-0.676	40	0		FBABMP
Cc1nn(C)cc1C[NH+]1CCC(C[N@@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585290971	483831428	/nfs/dbraw/zinc/83/14/28/483831428.db2.gz	JQMLJVOHZUEXLU-KURKYZTESA-N	2	1	352.479	-0.007	40	0		FBABMP
Cc1c(C[NH+]2CCC(C[N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cnn1C	ZINC000585291706	483831373	/nfs/dbraw/zinc/83/13/73/483831373.db2.gz	RWTJNMAWNLXHPQ-KURKYZTESA-N	2	1	352.479	-0.007	40	0		FBABMP
C[NH+]1CCC([NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585292285	483831068	/nfs/dbraw/zinc/83/10/68/483831068.db2.gz	ZTJCCBNGDFFKJY-SJORKVTESA-N	2	1	369.487	-0.533	40	0		FBABMP
C[NH+]1CCC([NH2+]C[C@H]2O[C@@H]3C[C@@H](CC(=O)NC4CC4)O[C@@H]3[C@@H]2O)CC1	ZINC000604381645	483865596	/nfs/dbraw/zinc/86/55/96/483865596.db2.gz	JBVXPXWLFFTHMY-GRLWTPEZSA-N	2	1	353.463	-0.375	40	0	biogenic,in-vitro	FBABMP
CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH+](C)CC3)[C@@H](O)[C@H]2O1	ZINC000604381748	483865676	/nfs/dbraw/zinc/86/56/76/483865676.db2.gz	MOESDSRDHDIIQU-GRLWTPEZSA-N	2	1	355.479	-0.128	40	0	biogenic,in-vitro	FBABMP
CC(=O)N1CCC([NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc[nH+]c3C)[C@H]2O)CC1	ZINC000952844620	840130790	/nfs/dbraw/zinc/13/07/90/840130790.db2.gz	CDVGBEUEHLLHFX-OVYGPGRDSA-N	2	1	350.419	-0.182	40	0	biogenic,in-vitro	FBABMP