smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@@H+]1CCN(c2ccc(OC)cc2)C[C@@H]1C(N)=O	ZINC000072361520	348920859	/nfs/dbraw/zinc/92/08/59/348920859.db2.gz	POFJHHXMKZOKBE-CQSZACIVSA-N	1	2	293.367	0.318	40	10		CCCBLO
COCC[N@H+]1CCN(c2ccc(OC)cc2)C[C@@H]1C(N)=O	ZINC000072361520	348920864	/nfs/dbraw/zinc/92/08/64/348920864.db2.gz	POFJHHXMKZOKBE-CQSZACIVSA-N	1	2	293.367	0.318	40	10		CCCBLO
Nc1ccc(CC(=O)NCC[NH+]2CCOCC2)cc1	ZINC000020185641	171048579	/nfs/dbraw/zinc/04/85/79/171048579.db2.gz	AKRFUDSJPWJZKP-UHFFFAOYSA-N	1	2	263.341	0.260	40	10		CCCBLO
COc1ccc(N2CC[NH+](CC(=O)N(C)C)CC2)cc1	ZINC000057467028	348610812	/nfs/dbraw/zinc/61/08/12/348610812.db2.gz	FPLKQYXPMAUKLI-UHFFFAOYSA-N	1	2	277.368	0.905	40	10		CCCBLO
COc1ccc(N2CC[N@H+](C)[C@@H](C(=O)N(C)C)C2)cc1	ZINC000072361503	286325380	/nfs/dbraw/zinc/32/53/80/286325380.db2.gz	UVPIRYWHIMVOSI-CQSZACIVSA-N	1	2	277.368	0.904	40	10		CCCBLO
COc1ccc(N2CC[N@@H+](C)[C@@H](C(=O)N(C)C)C2)cc1	ZINC000072361503	286325383	/nfs/dbraw/zinc/32/53/83/286325383.db2.gz	UVPIRYWHIMVOSI-CQSZACIVSA-N	1	2	277.368	0.904	40	10		CCCBLO
CC[N@H+](Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575421916	390839333	/nfs/dbraw/zinc/83/93/33/390839333.db2.gz	TUNPPDLQILKBAO-CHWSQXEVSA-N	1	2	284.381	0.249	40	10		CCCBLO
CC[N@@H+](Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575421916	390839334	/nfs/dbraw/zinc/83/93/34/390839334.db2.gz	TUNPPDLQILKBAO-CHWSQXEVSA-N	1	2	284.381	0.249	40	10		CCCBLO
Nc1ccc(OCCCc2c(N)nc(N)[nH+]c2N)cc1	ZINC000004824202	170024123	/nfs/dbraw/zinc/02/41/23/170024123.db2.gz	MCMZSMFKUGARGW-UHFFFAOYSA-N	1	2	274.328	0.817	40	10		CCCBLO
COc1ccc(N2CC[N@H+](C)[C@H](C(=O)N(C)C)C2)cc1	ZINC000248036339	334293697	/nfs/dbraw/zinc/29/36/97/334293697.db2.gz	UVPIRYWHIMVOSI-AWEZNQCLSA-N	1	2	277.368	0.904	40	10		CCCBLO
COc1ccc(N2CC[N@@H+](C)[C@H](C(=O)N(C)C)C2)cc1	ZINC000248036339	334293699	/nfs/dbraw/zinc/29/36/99/334293699.db2.gz	UVPIRYWHIMVOSI-AWEZNQCLSA-N	1	2	277.368	0.904	40	10		CCCBLO
O=[N+]([O-])c1ccc(O)c(C[NH+](CCO)CCO)c1	ZINC000001716736	347961809	/nfs/dbraw/zinc/96/18/09/347961809.db2.gz	HTFAGPHFJNQRNY-UHFFFAOYSA-N	1	2	256.258	0.087	40	10		CCCBLO
CC[N@H+](Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575421918	390839580	/nfs/dbraw/zinc/83/95/80/390839580.db2.gz	TUNPPDLQILKBAO-QWHCGFSZSA-N	1	2	284.381	0.249	40	10		CCCBLO
CC[N@@H+](Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575421918	390839582	/nfs/dbraw/zinc/83/95/82/390839582.db2.gz	TUNPPDLQILKBAO-QWHCGFSZSA-N	1	2	284.381	0.249	40	10		CCCBLO
Nc1ccc(C[N@H+](CCO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575423292	390840628	/nfs/dbraw/zinc/84/06/28/390840628.db2.gz	ZQKXTLDYMDUINW-ZDUSSCGKSA-N	1	2	284.381	0.250	40	10		CCCBLO
Nc1ccc(C[N@@H+](CCO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575423292	390840630	/nfs/dbraw/zinc/84/06/30/390840630.db2.gz	ZQKXTLDYMDUINW-ZDUSSCGKSA-N	1	2	284.381	0.250	40	10		CCCBLO
CNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CC[N@@H+]1C	ZINC000072361493	388961866	/nfs/dbraw/zinc/96/18/66/388961866.db2.gz	SBDDOQKVKSLAHI-ZDUSSCGKSA-N	1	2	263.341	0.562	40	10		CCCBLO
CNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CC[N@H+]1C	ZINC000072361493	388961869	/nfs/dbraw/zinc/96/18/69/388961869.db2.gz	SBDDOQKVKSLAHI-ZDUSSCGKSA-N	1	2	263.341	0.562	40	10		CCCBLO
CNC(=O)[C@H]1CN(c2ccc(OC)cc2)CC[N@@H+]1C	ZINC000072361494	348921179	/nfs/dbraw/zinc/92/11/79/348921179.db2.gz	SBDDOQKVKSLAHI-CYBMUJFWSA-N	1	2	263.341	0.562	40	10		CCCBLO
CNC(=O)[C@H]1CN(c2ccc(OC)cc2)CC[N@H+]1C	ZINC000072361494	348921183	/nfs/dbraw/zinc/92/11/83/348921183.db2.gz	SBDDOQKVKSLAHI-CYBMUJFWSA-N	1	2	263.341	0.562	40	10		CCCBLO
COCC[N@@H+]1CCN(c2ccc(OC)cc2)C[C@H]1C(N)=O	ZINC000247879522	334291327	/nfs/dbraw/zinc/29/13/27/334291327.db2.gz	POFJHHXMKZOKBE-AWEZNQCLSA-N	1	2	293.367	0.318	40	10		CCCBLO
COCC[N@H+]1CCN(c2ccc(OC)cc2)C[C@H]1C(N)=O	ZINC000247879522	334291329	/nfs/dbraw/zinc/29/13/29/334291329.db2.gz	POFJHHXMKZOKBE-AWEZNQCLSA-N	1	2	293.367	0.318	40	10		CCCBLO
CC[N@H+](Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575421921	390839816	/nfs/dbraw/zinc/83/98/16/390839816.db2.gz	TUNPPDLQILKBAO-STQMWFEESA-N	1	2	284.381	0.249	40	10		CCCBLO
CC[N@@H+](Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575421921	390839820	/nfs/dbraw/zinc/83/98/20/390839820.db2.gz	TUNPPDLQILKBAO-STQMWFEESA-N	1	2	284.381	0.249	40	10		CCCBLO
CC[N@H+](Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575421917	390839487	/nfs/dbraw/zinc/83/94/87/390839487.db2.gz	TUNPPDLQILKBAO-OLZOCXBDSA-N	1	2	284.381	0.249	40	10		CCCBLO
CC[N@@H+](Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575421917	390839490	/nfs/dbraw/zinc/83/94/90/390839490.db2.gz	TUNPPDLQILKBAO-OLZOCXBDSA-N	1	2	284.381	0.249	40	10		CCCBLO
Nc1ccc(C[N@H+](CCO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575423287	390840613	/nfs/dbraw/zinc/84/06/13/390840613.db2.gz	ZQKXTLDYMDUINW-CYBMUJFWSA-N	1	2	284.381	0.250	40	10		CCCBLO
Nc1ccc(C[N@@H+](CCO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575423287	390840614	/nfs/dbraw/zinc/84/06/14/390840614.db2.gz	ZQKXTLDYMDUINW-CYBMUJFWSA-N	1	2	284.381	0.250	40	10		CCCBLO
NC1=NC(=O)C(=Cc2ccccc2[N+](=O)[O-])C(=[NH2+])N1	ZINC000008656019	303232445	/nfs/dbraw/zinc/23/24/45/303232445.db2.gz	LYWADTJFCOIMQC-ALCCZGGFSA-N	1	2	259.225	0.400	40	10		CCCBLO
Nc1ccc(OCCc2c(N)nc(N)[nH+]c2N)cc1	ZINC000004771695	170014498	/nfs/dbraw/zinc/01/44/98/170014498.db2.gz	SMNWRSUMTQZRJZ-UHFFFAOYSA-N	1	2	260.301	0.427	40	10		CCCBLO