smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C1NC=NCN1c1ccc(N)cc1	17025509	132183602	/nfs/dbraw/zinc/18/36/02/132183602.db2.gz	LVXFBPFUUQIRGI-UHFFFAOYSA-N	0	3	189.222	0.599	40	10		ACCBHN
C[NH2+]Cc1cccc(O)c1[O-]	41116195	168019059	/nfs/dbraw/zinc/01/90/59/168019059.db2.gz	CTQVBZYCFJSIOP-UHFFFAOYSA-N	0	3	153.181	0.817	40	10		ACCBHN
COc1cc(CN)cc(O)c1O	104393289	168233641	/nfs/dbraw/zinc/23/36/41/168233641.db2.gz	FQXGPLOPHTVIQG-UHFFFAOYSA-N	0	3	169.180	0.565	40	10		ACCBHN
COc1ccc2c(c1[O-])C[NH2+]C[C@@H]2O	24717687	168264371	/nfs/dbraw/zinc/26/43/71/168264371.db2.gz	SGXNGBKSKOHDJP-QMMMGPOBSA-N	0	3	195.218	0.537	40	10		ACCBHN
COc1ccc2c(c1O)CNC[C@@H]2O	24717687	168264373	/nfs/dbraw/zinc/26/43/73/168264373.db2.gz	SGXNGBKSKOHDJP-QMMMGPOBSA-N	0	3	195.218	0.537	40	10		ACCBHN
COc1ccc2c(c1[O-])C[NH2+]C[C@H]2O	24717690	168264720	/nfs/dbraw/zinc/26/47/20/168264720.db2.gz	SGXNGBKSKOHDJP-MRVPVSSYSA-N	0	3	195.218	0.537	40	10		ACCBHN
COc1ccc2c(c1O)CNC[C@H]2O	24717690	168264722	/nfs/dbraw/zinc/26/47/22/168264722.db2.gz	SGXNGBKSKOHDJP-MRVPVSSYSA-N	0	3	195.218	0.537	40	10		ACCBHN
NC(=[NH2+])c1ccc([O-])c(O)c1	38171890	169141264	/nfs/dbraw/zinc/14/12/64/169141264.db2.gz	YKILLPJZPZOZSV-UHFFFAOYSA-N	0	3	152.153	0.382	40	10		ACCBHN
NC(=[NH2+])c1ccc(O)c([O-])c1	38171890	169141266	/nfs/dbraw/zinc/14/12/66/169141266.db2.gz	YKILLPJZPZOZSV-UHFFFAOYSA-N	0	3	152.153	0.382	40	10		ACCBHN
NCc1cc(O)c(O)c(O)c1	1574545	169220217	/nfs/dbraw/zinc/22/02/17/169220217.db2.gz	WHDIPFLMGHMXGP-UHFFFAOYSA-N	0	3	155.153	0.262	40	10		ACCBHN
CC(=O)OC[N-][N+](C)=O	2022019	171003816	/nfs/dbraw/zinc/00/38/16/171003816.db2.gz	BELPJCDYWUCHKF-AATRIKPKSA-N	0	3	132.119	0.099	40	10		ACCBHN
Oc1ccc(O)c2c1CNC[C@H]2O	24717680	171044256	/nfs/dbraw/zinc/04/42/56/171044256.db2.gz	LQGQUVMXXUHCST-MRVPVSSYSA-N	0	3	181.191	0.234	40	10		ACCBHN
Oc1ccc(O)c2c1CNC[C@@H]2O	24717683	171044554	/nfs/dbraw/zinc/04/45/54/171044554.db2.gz	LQGQUVMXXUHCST-QMMMGPOBSA-N	0	3	181.191	0.234	40	10		ACCBHN
[O-]c1cccc2c1C[NH2+]C[C@H]2O	39243584	171077413	/nfs/dbraw/zinc/07/74/13/171077413.db2.gz	VOVOOLZOADWHLB-SECBINFHSA-N	0	3	165.192	0.529	40	10	in-vitro	ACCBHN
[O-]c1cccc2c1C[NH2+]C[C@@H]2O	39243583	171077466	/nfs/dbraw/zinc/07/74/66/171077466.db2.gz	VOVOOLZOADWHLB-VIFPVBQESA-N	0	3	165.192	0.529	40	10	in-vitro	ACCBHN
[O-]c1ccc(O)c2c1C[NH2+]CC2	104675929	171148316	/nfs/dbraw/zinc/14/83/16/171148316.db2.gz	IMVDGTOZDGCTNW-UHFFFAOYSA-N	0	3	165.192	0.744	40	10		ACCBHN
CN(C)C[C@H](O)c1ccc(O)c(O)c1	1678569	342957524	/nfs/dbraw/zinc/95/75/24/342957524.db2.gz	RLATYNCITHOLTJ-JTQLQIEISA-N	0	3	197.234	0.693	40	10	in-vitro	ACCBHN
CN(C)C[C@@H](O)c1ccc(O)c(O)c1	2034782	342967837	/nfs/dbraw/zinc/96/78/37/342967837.db2.gz	RLATYNCITHOLTJ-SNVBAGLBSA-N	0	3	197.234	0.693	40	10	in-vitro	ACCBHN
CN(CC[NH3+])Cc1ccccc1[O-]	54416917	343323885	/nfs/dbraw/zinc/32/38/85/343323885.db2.gz	CHRWSWGKLOZXSB-UHFFFAOYSA-N	0	3	180.251	0.783	40	10		ACCBHN
[O-]c1ccccc1C[NH2+]CCO	1688931	351293811	/nfs/dbraw/zinc/29/38/11/351293811.db2.gz	DDNZKESRAINYTI-UHFFFAOYSA-N	0	3	167.208	0.474	40	10		ACCBHN
[NH3+]Cc1cc(O)c(O)cc1[O-]	90608806	527250199	/nfs/dbraw/zinc/25/01/99/527250199.db2.gz	BHUFLVAXHNGAPA-UHFFFAOYSA-N	0	3	155.153	0.262	40	10		ACCBHN