smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000000277886	342682112	/nfs/dbraw/zinc/68/21/12/342682112.db2.gz	VMLGUVWUUWNDNF-UHFFFAOYSA-N	1	2	236.271	2.286	50	10		BECALO
Cc1c(C)c2ccc(O)c(C[NH+](C)C)c2oc1=O	ZINC000004046521	359650409	/nfs/dbraw/zinc/65/04/09/359650409.db2.gz	OXVAXZGMGHCGLC-UHFFFAOYSA-N	1	2	247.294	2.177	50	10	biogenic	BECALO
COc1cccc(CNc2cccc[nH+]2)c1O	ZINC000018143164	175268904	/nfs/dbraw/zinc/26/89/04/175268904.db2.gz	MBKLXMDLWISXIS-UHFFFAOYSA-N	1	2	230.267	2.408	50	10		BECALO
Cc1ccc(O)c(CCc2ccc(O)c(O)c2)[nH+]1	ZINC000000186980	343268900	/nfs/dbraw/zinc/26/89/00/343268900.db2.gz	JBPDBXISNBWIIF-UHFFFAOYSA-N	1	2	245.278	2.292	50	10		BECALO
Cc1nc(Nc2ccc(N)cc2)cc(N(C)C)[nH+]1	ZINC000206579610	384994933	/nfs/dbraw/zinc/99/49/33/384994933.db2.gz	PUGSPBNIJIPSDU-UHFFFAOYSA-N	1	2	243.314	2.177	50	10		BECALO
CC[NH+](CC)Cc1c(O)ccc(C(C)=O)c1O	ZINC000031959952	350174228	/nfs/dbraw/zinc/17/42/28/350174228.db2.gz	PYRLSMOFMVGQMX-UHFFFAOYSA-N	1	2	237.299	2.142	50	10		BECALO
CCc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C	ZINC000000489255	359622111	/nfs/dbraw/zinc/62/21/11/359622111.db2.gz	MJEVBCZXAOTUNA-UHFFFAOYSA-N	1	2	247.294	2.123	50	10	biogenic	BECALO
Oc1ccccc1CNc1cccc[nH+]1	ZINC000000553314	183303331	/nfs/dbraw/zinc/30/33/31/183303331.db2.gz	IIGHOJWCQPXLBR-UHFFFAOYSA-N	1	2	200.241	2.399	50	10		BECALO
COc1ccc([NH+]2CCCCC2)cc1N	ZINC000022121988	536669274	/nfs/dbraw/zinc/66/92/74/536669274.db2.gz	RFTXPGFOKHADON-UHFFFAOYSA-N	1	2	206.289	2.268	50	10		BECALO
Cc1cc2oc(=O)cc(C)c2c(O)c1C[NH+](C)C	ZINC000094993478	178306979	/nfs/dbraw/zinc/30/69/79/178306979.db2.gz	MGZLHHLLODBZHB-UHFFFAOYSA-N	1	2	247.294	2.177	50	10		BECALO
Cc1cc(=O)oc2c1ccc(O)c2C[NH2+]C(C)C	ZINC000032501335	343236659	/nfs/dbraw/zinc/23/66/59/343236659.db2.gz	AVZAWDKDHLDPIF-UHFFFAOYSA-N	1	2	247.294	2.305	50	10		BECALO
COc1ccc(CNc2cccc[nH+]2)c(O)c1	ZINC000004559216	384069741	/nfs/dbraw/zinc/06/97/41/384069741.db2.gz	OLSHIGRVCLMZIR-UHFFFAOYSA-N	1	2	230.267	2.408	50	10		BECALO
CC(=O)c1ccc(O)c(C[NH+]2CCCC2)c1	ZINC000020285091	384610078	/nfs/dbraw/zinc/61/00/78/384610078.db2.gz	IIJUMKYUGLNQBX-UHFFFAOYSA-N	1	2	219.284	2.191	50	10		BECALO
CN(C)c1ccc(/C=C/C[NH+]2CCOCC2)cc1	ZINC000023281450	397977671	/nfs/dbraw/zinc/97/76/71/397977671.db2.gz	PCSCBFBHLUAUTB-ONEGZZNKSA-N	1	2	246.354	2.098	50	10		BECALO
Cc1cc(N(C)C)nc(Nc2ccc(N)cc2)[nH+]1	ZINC000075172755	178097015	/nfs/dbraw/zinc/09/70/15/178097015.db2.gz	LYQRHCXHOCPMFZ-UHFFFAOYSA-N	1	2	243.314	2.177	50	10		BECALO
COCc1cc(C[NH2+]CC(F)F)ccc1OC	ZINC000012396095	342851340	/nfs/dbraw/zinc/85/13/40/342851340.db2.gz	ZKQDXYHXUUWNEI-UHFFFAOYSA-N	1	2	245.269	2.196	50	10		BECALO
O=Cc1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000019735605	384534711	/nfs/dbraw/zinc/53/47/11/384534711.db2.gz	ANOQAWNFSFYKLF-UHFFFAOYSA-N	1	2	219.284	2.191	50	10		BECALO
COc1ccc(COc2ccc[nH+]c2N)cc1	ZINC000000084076	175114356	/nfs/dbraw/zinc/11/43/56/175114356.db2.gz	LVATUHXCUVGRKS-UHFFFAOYSA-N	1	2	230.267	2.251	50	10		BECALO
CC[NH+](CC)Cc1cc(C(C)=O)ccc1O	ZINC000020268099	342979703	/nfs/dbraw/zinc/97/97/03/342979703.db2.gz	WAEQXRCDSKZJNU-UHFFFAOYSA-N	1	2	221.300	2.437	50	10		BECALO
Nc1[nH+]cccc1OCc1ccccc1	ZINC000018996118	384510906	/nfs/dbraw/zinc/51/09/06/384510906.db2.gz	NMCBWICNRJLKKM-UHFFFAOYSA-N	1	2	200.241	2.243	50	10	in-vivo	BECALO
Cc1ccc(O)c(CCc2ccc(N)cc2)[nH+]1	ZINC000000186987	642751494	/nfs/dbraw/zinc/75/14/94/642751494.db2.gz	ZXLBJCOZJNHUJN-UHFFFAOYSA-N	1	2	228.295	2.463	50	10		BECALO