smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(N2CCC[NH+]=C2[O-])cc1	19727520	132184751	/nfs/dbraw/zinc/18/47/51/132184751.db2.gz	HLTPJQXCNWNFFI-UHFFFAOYSA-N	0	1	191.234	1.189	50	10		ADCAMN
CN1CCc2cc(O)c(O)cc2C1	1563568	342947523	/nfs/dbraw/zinc/94/75/23/342947523.db2.gz	WETXYFNVBDLWIW-UHFFFAOYSA-N	0	1	179.219	1.086	50	10	endogenous,in-man	ADCAMN
Cc1n[nH]c(Cc2ccc(N)cc2)n1	15635704	343042571	/nfs/dbraw/zinc/04/25/71/343042571.db2.gz	VAIGNZQZVNFCIC-UHFFFAOYSA-N	0	1	188.234	1.286	50	10	in-vitro	ADCAMN
CC(=O)c1sccc1O	39616979	166338457	/nfs/dbraw/zinc/33/84/57/166338457.db2.gz	FWZMXOHXLLSSSL-UHFFFAOYSA-N	0	1	142.179	1.656	50	10	in-vitro	ADCAMN
CCOC(=O)C(Cl)=CO	117819303	167316903	/nfs/dbraw/zinc/31/69/03/167316903.db2.gz	OQIYGSPEMWMAFA-ARJAWSKDSA-N	0	1	150.561	1.188	50	10		ADCAMN
CCOC(=O)C(Cl)C=O	117819303	167316908	/nfs/dbraw/zinc/31/69/08/167316908.db2.gz	OQIYGSPEMWMAFA-ARJAWSKDSA-N	0	1	150.561	1.188	50	10		ADCAMN
CCOC(=O)c1c(O)csc1C	195153	167365776	/nfs/dbraw/zinc/36/57/76/167365776.db2.gz	ZQPCKKGNETVBMN-UHFFFAOYSA-N	0	1	186.232	1.939	50	10	in-vitro	ADCAMN
C[NH2+]Cc1cc(Cl)ccc1[O-]	19776789	168015602	/nfs/dbraw/zinc/01/56/02/168015602.db2.gz	YABHGYPDBKOQOO-UHFFFAOYSA-N	0	1	171.627	1.765	50	10	in-vitro	ADCAMN
COC(=O)c1sc(OC)cc1O	116124	168138752	/nfs/dbraw/zinc/13/87/52/168138752.db2.gz	JWVGLUKLEKSZEL-UHFFFAOYSA-N	0	1	188.204	1.249	50	10		ADCAMN
N#C[C@@H]1Cn2ccc3cccc(c32)C1=O	197951	169109465	/nfs/dbraw/zinc/10/94/65/169109465.db2.gz	LINHVPOSFQWOBY-SECBINFHSA-N	0	1	196.209	1.977	50	10		ADCAMN
N#CC1Cn2ccc3cccc(c32)C1=O	197951	169109470	/nfs/dbraw/zinc/10/94/70/169109470.db2.gz	LINHVPOSFQWOBY-SECBINFHSA-N	0	1	196.209	1.977	50	10		ADCAMN
N#C[C@H]1Cn2ccc3cccc(c32)C1=O	197947	169112904	/nfs/dbraw/zinc/11/29/04/169112904.db2.gz	LINHVPOSFQWOBY-VIFPVBQESA-N	0	1	196.209	1.977	50	10		ADCAMN
N#CC1Cn2ccc3cccc(c32)C1=O	197947	169112906	/nfs/dbraw/zinc/11/29/06/169112906.db2.gz	LINHVPOSFQWOBY-VIFPVBQESA-N	0	1	196.209	1.977	50	10		ADCAMN
[NH3+]Cc1c([O-])cccc1Cl	52904631	169219155	/nfs/dbraw/zinc/21/91/55/169219155.db2.gz	DDKHIOXWHDMUEL-UHFFFAOYSA-N	0	1	157.600	1.504	50	10	in-vitro	ADCAMN
[NH3+]Cc1cc(Cl)ccc1[O-]	1628244	169220938	/nfs/dbraw/zinc/22/09/38/169220938.db2.gz	PTZMBOCHADEFMC-UHFFFAOYSA-N	0	1	157.600	1.504	50	10	in-vitro	ADCAMN
N#[N+]C=C([O-])Cc1ccccc1	3882853	171010517	/nfs/dbraw/zinc/01/05/17/171010517.db2.gz	YBFLCCYMUGRHSS-UHFFFAOYSA-N	0	1	160.176	1.099	50	10		ADCAMN
[NH3+]Cc1ccc2cccnc2c1[O-]	39383451	171189610	/nfs/dbraw/zinc/18/96/10/171189610.db2.gz	RRWSVNZDDVMIFS-UHFFFAOYSA-N	0	1	174.203	1.399	50	10		ADCAMN
C[NH+](C)Cc1c([O-])ccc2[nH]cnc12	229695	342931567	/nfs/dbraw/zinc/93/15/67/342931567.db2.gz	YVMLHPJBYKLDSV-UHFFFAOYSA-N	0	1	191.234	1.330	50	10		ADCAMN
C[NH+](C)Cc1c([O-])ccc2[nH]ccc12	8991510	343021287	/nfs/dbraw/zinc/02/12/87/343021287.db2.gz	SGHQUFHHAZYDEZ-UHFFFAOYSA-N	0	1	190.246	1.935	50	10		ADCAMN
Cc1nnc(Cc2ccc(N)cc2)[nH]1	15635704	343042574	/nfs/dbraw/zinc/04/25/74/343042574.db2.gz	VAIGNZQZVNFCIC-UHFFFAOYSA-N	0	1	188.234	1.286	50	10	in-vitro	ADCAMN
COC(=O)c1scc(C)c1O	34333947	343116677	/nfs/dbraw/zinc/11/66/77/343116677.db2.gz	UZMIWZFUPRJXEZ-UHFFFAOYSA-N	0	1	172.205	1.549	50	10		ADCAMN
Cc1cc(O)c(O)cc1[N+](=O)[O-]	35645269	343134963	/nfs/dbraw/zinc/13/49/63/343134963.db2.gz	WLLRAKCRHPMKNA-UHFFFAOYSA-N	0	1	169.136	1.314	50	10	in-vitro	ADCAMN
COC(=O)C(=CO)c1ccc(F)cc1	140661050	344001223	/nfs/dbraw/zinc/00/12/23/344001223.db2.gz	TXTDVRNCZMFXTP-TWGQIWQCSA-N	0	1	196.177	1.898	50	10		ADCAMN
COC(=O)C(C=O)c1cccc(F)c1	169254903	344350035	/nfs/dbraw/zinc/35/00/35/344350035.db2.gz	FVDAKYMGTKUXFM-TWGQIWQCSA-N	0	1	196.177	1.898	50	10		ADCAMN
C[C@@H]1c2cc(O)c(O)cc2CCN1C	5082283	351337559	/nfs/dbraw/zinc/33/75/59/351337559.db2.gz	RKMGOUZXGHZLBJ-SSDOTTSWSA-N	0	1	193.246	1.647	50	10	endogenous,in-man	ADCAMN
O=C1C=CC(=NNc2nc[nH]n2)C=C1	6996098	351355194	/nfs/dbraw/zinc/35/51/94/351355194.db2.gz	VJTVEYKOCUOSIO-ACCUITESSA-N	0	1	189.178	1.926	50	10		ADCAMN
O=Cc1ccc(O)c(O)c1Cl	16384171	351380222	/nfs/dbraw/zinc/38/02/22/351380222.db2.gz	YUPJFIXFTKCVSF-UHFFFAOYSA-N	0	1	172.567	1.564	50	10		ADCAMN
Oc1ccccc1CN1CCOCC1	21953114	351408426	/nfs/dbraw/zinc/40/84/26/351408426.db2.gz	OYLIEVIKIUHKTG-UHFFFAOYSA-N	0	1	193.246	1.224	50	10		ADCAMN
O=[N+]([O-])c1ccc(O)c(O)c1	34800312	351445588	/nfs/dbraw/zinc/44/55/88/351445588.db2.gz	XJNPNXSISMKQEX-UHFFFAOYSA-N	0	1	155.109	1.006	50	10	endogenous,in-man	ADCAMN
O=[N+]([O-])c1cccc(O)c1O	35377344	351451211	/nfs/dbraw/zinc/45/12/11/351451211.db2.gz	YHKWFDPEASWKFQ-UHFFFAOYSA-N	0	1	155.109	1.006	50	10	in-vitro	ADCAMN