smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)cc1	ZINC000001350683	132244488	/nfs/dbraw/zinc/24/44/88/132244488.db2.gz	VOXASORLEYEXOW-UHFFFAOYSA-N	1	2	402.498	4.316	3	0		HIAFLO
Cc1cccc2c1N(C1CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC1)C(=O)OC2	ZINC000013612710	132458311	/nfs/dbraw/zinc/45/83/11/132458311.db2.gz	IQLZMOLGOMDVTI-UHFFFAOYSA-N	1	2	413.905	4.208	1	0		HIAFLO
COc1cc2[nH+]cn(-c3cc(OCC4CCCCC4)c(C(N)=O)s3)c2cc1OC	ZINC000040935407	581099381	/nfs/dbraw/zinc/09/93/81/581099381.db2.gz	WLALQQYUBWGRLL-UHFFFAOYSA-N	1	2	415.515	4.162	1	0		HIAFLO
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccc(N)[nH+]c1	ZINC000040891661	581092840	/nfs/dbraw/zinc/09/28/40/581092840.db2.gz	MAXWPKHIRAUGLM-UHFFFAOYSA-N	1	2	414.387	4.496	1	0		HIAFLO
C[C@@H]1c2cc(Cc3ccccc3)c(-c3ccccc3)n2CCN1Cc1c[nH+]c(N)nc1N	ZINC000013520544	581095153	/nfs/dbraw/zinc/09/51/53/581095153.db2.gz	BYYHQKXHHYWFBF-GOSISDBHSA-N	1	2	424.552	4.277	1	0		HIAFLO
Brc1cccc(Nc2ncnc3cnc(NCCCn4cc[nH+]c4)cc32)c1	ZINC000021289179	581092106	/nfs/dbraw/zinc/09/21/06/581092106.db2.gz	IUQWETRSDSASNL-UHFFFAOYSA-N	1	2	424.306	4.230	1	0		HIAFLO
COc1ccccc1[C@@]1(O)c2ccc3[nH+]c(C)c(OC)c(OC)c3c2[C@@H]2CC[C@H]1O2	ZINC000095913721	291267202	/nfs/dbraw/zinc/26/72/02/291267202.db2.gz	XHNIIQKOPPYGRE-XLNZFTOWSA-N	1	2	407.466	4.039	1	0	biogenic,in-vitro	HIAFLO
Brc1cccc(Nc2ncnc3cc(NCCCn4cc[nH+]c4)ncc32)c1	ZINC000021289090	581092131	/nfs/dbraw/zinc/09/21/31/581092131.db2.gz	QENYREVCVOGEQU-UHFFFAOYSA-N	1	2	424.306	4.230	1	0		HIAFLO
CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1N1CCN(c2ccccc2F)CC1	ZINC000004192449	535715000	/nfs/dbraw/zinc/71/50/00/535715000.db2.gz	DFWLVUOEZMWQPV-UHFFFAOYSA-N	1	2	423.488	4.276	1	0		HIAFLO
COc1cc(NS(C)(=O)=O)ccc1N1Cc2c[nH]c3ccc4[nH+]c(C)cc1c4c23	ZINC000001863793	132248238	/nfs/dbraw/zinc/24/82/38/132248238.db2.gz	RPKKUKMXWWWVIB-UHFFFAOYSA-N	1	2	408.483	4.056	1	0		HIAFLO
C[C@H]1c2cc(Cc3ccccc3)c(-c3ccccc3)n2CCN1Cc1c[nH+]c(N)nc1N	ZINC000013520537	581095181	/nfs/dbraw/zinc/09/51/81/581095181.db2.gz	BYYHQKXHHYWFBF-SFHVURJKSA-N	1	2	424.552	4.277	1	0		HIAFLO
Cc1csc(N2CCN(c3cc4[nH+]c(-c5ccncc5)[nH]c4cc3Cl)CC2)n1	ZINC000012470792	132361007	/nfs/dbraw/zinc/36/10/07/132361007.db2.gz	UQARHRUZVFJDBS-UHFFFAOYSA-N	1	2	410.934	4.370	3	0		HIAFLO
CC[NH2+]c1ccc(OCc2ccnc3c2NC(=O)c2cccnc2N3C2CC2)cc1	ZINC000005843617	581095841	/nfs/dbraw/zinc/09/58/41/581095841.db2.gz	IXGCBTOXTADCJH-UHFFFAOYSA-N	1	2	401.470	4.354	1	0		HIAFLO