smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2ccccc2c1CN1CCOCC1	ZINC000019229538	183284887	/nfs/dbraw/zinc/28/48/87/183284887.db2.gz	VNKDDFRRCCZWOU-UHFFFAOYSA-N	-1	3	243.306	2.378	50	10		BECAHM
C[C@H]1CN(C=O)c2ccccc2[N-]C1=S	ZINC000000384195	177243075	/nfs/dbraw/zinc/24/30/75/177243075.db2.gz	OHFUCZDYOBISQU-QMMMGPOBSA-N	-1	3	220.297	2.038	50	10		BECAHM
[O-]c1ccc(Cl)cc1CN1CCC[C@H](O)C1	ZINC000023281509	343777315	/nfs/dbraw/zinc/77/73/15/343777315.db2.gz	GRWOVTMLVYKQCY-NSHDSACASA-N	-1	3	241.718	2.002	50	10		BECAHM
O=C(NCC1CCCC1)c1cccc(O)c1[O-]	ZINC000126249824	182146686	/nfs/dbraw/zinc/14/66/86/182146686.db2.gz	KYONSDKYACDXOL-UHFFFAOYSA-N	-1	3	235.283	2.018	50	10		BECAHM
CC(C)CCOC(=O)c1cc(O)c([O-])c(O)c1	ZINC000001461351	383899404	/nfs/dbraw/zinc/89/94/04/383899404.db2.gz	YBMTWYWCLVMFFD-UHFFFAOYSA-N	-1	3	240.255	2.006	50	10		BECAHM
O=C1c2ccccc2C(=O)c2c([O-])cccc21	ZINC000003875850	384032334	/nfs/dbraw/zinc/03/23/34/384032334.db2.gz	BTLXPCBPYBNQNR-UHFFFAOYSA-N	-1	3	224.215	2.168	50	10	biogenic,in-vitro	BECAHM
Cc1cc([O-])c2c(c1)C(=O)c1ccccc1C2=O	ZINC000005277130	178196755	/nfs/dbraw/zinc/19/67/55/178196755.db2.gz	AFHWNNJNTNLCQF-UHFFFAOYSA-N	-1	3	238.242	2.476	50	10	biogenic,in-vitro	BECAHM
O=[N+]([O-])c1ccc([O-])c(CN2CCCCC2)c1	ZINC000000277886	342682114	/nfs/dbraw/zinc/68/21/14/342682114.db2.gz	VMLGUVWUUWNDNF-UHFFFAOYSA-N	-1	3	236.271	2.286	50	10		BECAHM
[O-]c1ccc(Cl)cc1CN1CCC[C@@H](O)C1	ZINC000023281507	356640368	/nfs/dbraw/zinc/64/03/68/356640368.db2.gz	GRWOVTMLVYKQCY-LLVKDONJSA-N	-1	3	241.718	2.002	50	10		BECAHM
Cc1c(C)c2ccc([O-])c(CN(C)C)c2oc1=O	ZINC000004046521	359650412	/nfs/dbraw/zinc/65/04/12/359650412.db2.gz	OXVAXZGMGHCGLC-UHFFFAOYSA-N	-1	3	247.294	2.177	50	10	biogenic	BECAHM
[O-]c1ccccc1C[NH2+]Cc1ccccc1[O-]	ZINC000001628259	183303157	/nfs/dbraw/zinc/30/31/57/183303157.db2.gz	ARMZYJYJGIRLRX-UHFFFAOYSA-N	-1	3	229.279	2.388	50	10	in-vitro	BECAHM
Cc1nc(-c2ccc(O)c([O-])c2O)cs1	ZINC000032501311	386928456	/nfs/dbraw/zinc/92/84/56/386928456.db2.gz	YBBLZCFOUCMHJF-UHFFFAOYSA-N	-1	3	223.253	2.235	50	10		BECAHM
[O-]c1ccccc1[C@H]1CC(c2cccnc2)=NN1	ZINC000032500968	188284217	/nfs/dbraw/zinc/28/42/17/188284217.db2.gz	GVHYUVUYNFYSNR-CYBMUJFWSA-N	-1	3	239.278	2.226	50	10		BECAHM
O=C1CCC(=O)c2c(O)c3ccccc3c([O-])c21	ZINC000100014175	384608858	/nfs/dbraw/zinc/60/88/58/384608858.db2.gz	FVXPBEUYCCZFJT-UHFFFAOYSA-N	-1	3	242.230	2.410	50	10	biogenic	BECAHM
O=C(CNC1CCCCC1)c1ccc([O-])c(O)c1	ZINC000053175092	384770713	/nfs/dbraw/zinc/77/07/13/384770713.db2.gz	ITQFZQPBSLIEMU-UHFFFAOYSA-N	-1	3	249.310	2.203	50	10		BECAHM
Nc1ccc(CC(=O)Nc2ccccc2[O-])cc1	ZINC000070216751	384991938	/nfs/dbraw/zinc/99/19/38/384991938.db2.gz	GFEVCNPENCTJAI-UHFFFAOYSA-N	-1	3	242.278	2.156	50	10		BECAHM
CCOC(=O)c1c(C)n(C)c2ccc(O)c([O-])c21	ZINC000000478512	170288635	/nfs/dbraw/zinc/28/86/35/170288635.db2.gz	DYCUECQFCIPNBR-UHFFFAOYSA-N	-1	3	249.266	2.075	50	10		BECAHM
C[C@H]1CC(=S)[N-]c2ccccc2N1C=O	ZINC000000384197	344739416	/nfs/dbraw/zinc/73/94/16/344739416.db2.gz	BGQZTYTURNDGDE-QMMMGPOBSA-N	-1	3	220.297	2.181	50	10		BECAHM
CCCc1cc(=O)oc2c(O)c([O-])ccc12	ZINC000005547487	342765928	/nfs/dbraw/zinc/76/59/28/342765928.db2.gz	PHPUSFBIYOLWBJ-UHFFFAOYSA-N	-1	3	220.224	2.157	50	10	biogenic	BECAHM
O=C(Cc1ccccc1)c1ccc([O-])c(O)c1O	ZINC000000314910	182043739	/nfs/dbraw/zinc/04/37/39/182043739.db2.gz	YYKGZYGSFFMVEP-UHFFFAOYSA-N	-1	3	244.246	2.229	50	10		BECAHM
CN1N=C(c2cc(Cl)ccc2[O-])CCC1=O	ZINC000005510023	173204323	/nfs/dbraw/zinc/20/43/23/173204323.db2.gz	NWBUJKHQJZLOCF-UHFFFAOYSA-N	-1	3	238.674	2.002	50	10		BECAHM
O=S(=O)([N-]c1ccc(O)cc1)c1ccccc1	ZINC000000134049	342676348	/nfs/dbraw/zinc/67/63/48/342676348.db2.gz	WHZPMLXZOSFAKY-UHFFFAOYSA-N	-1	3	249.291	2.193	50	10		BECAHM
[O-]c1ccc(F)cc1CNCC(F)(F)F	ZINC000231788440	353655235	/nfs/dbraw/zinc/65/52/35/353655235.db2.gz	HCEHJYUUHXCMAG-UHFFFAOYSA-N	-1	3	223.169	2.183	50	10		BECAHM
[O-]c1ccccc1CNCC(F)(F)F	ZINC000019485141	183302026	/nfs/dbraw/zinc/30/20/26/183302026.db2.gz	FXMKWWDDFZOYGT-UHFFFAOYSA-N	-1	3	205.179	2.044	50	10		BECAHM
O=C(Nc1cccc(O)c1)c1ccc([O-])c(O)c1	ZINC000227012094	385076707	/nfs/dbraw/zinc/07/67/07/385076707.db2.gz	YJANPZQMTOSVNZ-UHFFFAOYSA-N	-1	3	245.234	2.056	50	10		BECAHM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=O	ZINC000100501577	168133563	/nfs/dbraw/zinc/13/35/63/168133563.db2.gz	QINDUTLRWPDQKV-XFFZJAGNSA-N	-1	3	216.240	2.159	50	10		BECAHM
C[C@@H]1CN(C=O)c2ccccc2[N-]C1=S	ZINC000000384196	176283219	/nfs/dbraw/zinc/28/32/19/176283219.db2.gz	OHFUCZDYOBISQU-MRVPVSSYSA-N	-1	3	220.297	2.038	50	10		BECAHM
[O-]c1ccccc1[C@@H]1CC(c2cccnc2)=NN1	ZINC000032500967	322898453	/nfs/dbraw/zinc/89/84/53/322898453.db2.gz	GVHYUVUYNFYSNR-ZDUSSCGKSA-N	-1	3	239.278	2.226	50	10		BECAHM
Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000000040631	342671007	/nfs/dbraw/zinc/67/10/07/342671007.db2.gz	UGLIOSUKEZPTCF-UHFFFAOYSA-N	-1	3	248.307	2.070	50	10		BECAHM
CC[NH+](CC)Cc1c([O-])ccc(C(C)=O)c1[O-]	ZINC000031959952	350174230	/nfs/dbraw/zinc/17/42/30/350174230.db2.gz	PYRLSMOFMVGQMX-UHFFFAOYSA-N	-1	3	237.299	2.142	50	10		BECAHM
CCc1cc(=O)oc2c1ccc([O-])c2CN(C)C	ZINC000000489255	359622115	/nfs/dbraw/zinc/62/21/15/359622115.db2.gz	MJEVBCZXAOTUNA-UHFFFAOYSA-N	-1	3	247.294	2.123	50	10	biogenic	BECAHM
O=C(c1ccccc1)c1ccc([O-])c(O)c1	ZINC000000262158	342681684	/nfs/dbraw/zinc/68/16/84/342681684.db2.gz	ARWCZKJISXFBGI-UHFFFAOYSA-N	-1	3	214.220	2.329	50	10		BECAHM
C[C@@H]1CC(=S)[N-]c2ccccc2N1C=O	ZINC000000384198	344739566	/nfs/dbraw/zinc/73/95/66/344739566.db2.gz	BGQZTYTURNDGDE-MRVPVSSYSA-N	-1	3	220.297	2.181	50	10		BECAHM
CC(C)NC(C)(C)C(=O)c1ccc([O-])c(O)c1	ZINC000096027095	371381040	/nfs/dbraw/zinc/38/10/40/371381040.db2.gz	KBIXQOLKSLZYTN-UHFFFAOYSA-N	-1	3	237.299	2.057	50	10		BECAHM
CC(=O)c1ccc([O-])c(CN2CCCC2)c1	ZINC000020285091	384610083	/nfs/dbraw/zinc/61/00/83/384610083.db2.gz	IIJUMKYUGLNQBX-UHFFFAOYSA-N	-1	3	219.284	2.191	50	10		BECAHM
[O-]c1c(CN2CCOCC2)ccc2ccccc21	ZINC000019229540	386985102	/nfs/dbraw/zinc/98/51/02/386985102.db2.gz	XJKMEOFFCYJCGT-UHFFFAOYSA-N	-1	3	243.306	2.378	50	10		BECAHM
CCS(=O)(=O)Nc1cc(Cl)c([O-])cc1C	ZINC000011691677	344682877	/nfs/dbraw/zinc/68/28/77/344682877.db2.gz	PCXVHHSZCUYOLX-UHFFFAOYSA-N	-1	3	249.719	2.116	50	10		BECAHM
C[C@H]([NH2+]Cc1cc2ccccc2cc1[O-])C(=O)[O-]	ZINC000004336031	384058257	/nfs/dbraw/zinc/05/82/57/384058257.db2.gz	GLMYDSFNVWNJQN-VIFPVBQESA-N	-1	3	245.278	2.108	50	10		BECAHM
O=Cc1ccc([O-])c(CN2CCCCC2)c1	ZINC000019735605	384534715	/nfs/dbraw/zinc/53/47/15/384534715.db2.gz	ANOQAWNFSFYKLF-UHFFFAOYSA-N	-1	3	219.284	2.191	50	10		BECAHM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=O	ZINC000100503569	168134589	/nfs/dbraw/zinc/13/45/89/168134589.db2.gz	SREXIBBFHBZZHA-GHXNOFRVSA-N	-1	3	230.267	2.468	50	10		BECAHM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=O	ZINC000100989396	410679669	/nfs/dbraw/zinc/67/96/69/410679669.db2.gz	SREXIBBFHBZZHA-KPKJPENVSA-N	-1	3	230.267	2.468	50	10		BECAHM
CCN(CC)Cc1cc(C(C)=O)ccc1[O-]	ZINC000020268099	342979704	/nfs/dbraw/zinc/97/97/04/342979704.db2.gz	WAEQXRCDSKZJNU-UHFFFAOYSA-N	-1	3	221.300	2.437	50	10		BECAHM
Cc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000004783164	368862907	/nfs/dbraw/zinc/86/29/07/368862907.db2.gz	CZODYZFOLUNSFR-UHFFFAOYSA-N	-1	3	238.242	2.476	50	10	biogenic,in-vitro	BECAHM
C[C@@H]([NH2+]Cc1cc2ccccc2cc1[O-])C(=O)[O-]	ZINC000000080965	383825204	/nfs/dbraw/zinc/82/52/04/383825204.db2.gz	GLMYDSFNVWNJQN-SECBINFHSA-N	-1	3	245.278	2.108	50	10		BECAHM