smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]cnc2c(C(=O)[O-])nnc1-2	75397364	572839395	/nfs/dbraw/zinc/83/93/95/572839395.db2.gz	OXVYPOQRJVZBBC-UHFFFAOYSA-N	-2	1	178.151	0.360	40	0		ACABML
C[N-]C(=S)SCCC(=O)[O-]	5566434	343005140	/nfs/dbraw/zinc/00/51/40/343005140.db2.gz	XROANLWPDIMADQ-UHFFFAOYSA-N	-2	1	179.266	0.699	40	0		ACABML
CC[C@@](C)(O)P(=O)([O-])[O-]	6002446	343011142	/nfs/dbraw/zinc/01/11/42/343011142.db2.gz	IOZNYSJVGUQVOL-BYPYZUCNSA-N	-2	1	154.102	0.283	40	0		ACABML
C=C=C(COC)P(=O)([O-])[O-]	19205147	166150871	/nfs/dbraw/zinc/15/08/71/166150871.db2.gz	CXXRWVOVHUUBBR-UHFFFAOYSA-N	-2	1	164.097	0.479	40	0		ACABML
CSC(=S)[N-]CC(=O)[O-]	6425078	168296507	/nfs/dbraw/zinc/29/65/07/168296507.db2.gz	CVYLWKKBVGCWBQ-UHFFFAOYSA-N	-2	1	165.239	0.309	40	0		ACABML
N[C@@H](C(F)(F)F)P(=O)([O-])[O-]	5258764	169243810	/nfs/dbraw/zinc/24/38/10/169243810.db2.gz	BPFQMPHPVHHLHD-PVQJCKRUSA-N	-2	1	179.034	0.011	40	0		ACABML
N[C@H](C(F)(F)F)P(=O)([O-])[O-]	13301137	169263127	/nfs/dbraw/zinc/26/31/27/169263127.db2.gz	BPFQMPHPVHHLHD-SFOWXEAESA-N	-2	1	179.034	0.011	40	0		ACABML
Nc1c([O-])c2ccc([O-])cc2oc1=O	6567221	169283358	/nfs/dbraw/zinc/28/33/58/169283358.db2.gz	QVNNPTBCHMRANE-UHFFFAOYSA-N	-2	1	193.158	0.786	40	0	in-vitro	ACABML
O=C([O-])CCCC[P@@](=O)([O-])O	2569175	169337338	/nfs/dbraw/zinc/33/73/38/169337338.db2.gz	XWCXIPMQBWAVJA-UHFFFAOYSA-N	-2	1	182.112	0.419	40	0	in-vitro	ACABML
O=C([O-])CCc1c([O-])ccoc1=O	100062180	169339169	/nfs/dbraw/zinc/33/91/69/169339169.db2.gz	GVWBCNMAGODRRI-UHFFFAOYSA-N	-2	1	184.147	0.363	40	0	biogenic,in-vitro	ACABML
O=C([O-])c1cc(=S)[n-]c(=O)[nH]1	1676009	169355964	/nfs/dbraw/zinc/35/59/64/169355964.db2.gz	LXZVRSUGVUJBBL-UHFFFAOYSA-N	-2	1	172.165	0.131	40	0		ACABML
O=C([O-])c1cc([O-])c2n[nH]cc2c1	40435265	169356772	/nfs/dbraw/zinc/35/67/72/169356772.db2.gz	VGZKUBKJPAKVEC-UHFFFAOYSA-N	-2	1	178.147	0.967	40	0		ACABML
O=C([O-])c1cc2c(F)nc[n-]c-2n1	35269929	169356852	/nfs/dbraw/zinc/35/68/52/169356852.db2.gz	PAYLIYUKVLBCRG-UHFFFAOYSA-N	-2	1	181.126	0.795	40	0		ACABML
O=C([O-])c1cc2[n-]c(F)cnc-2n1	35269931	169357696	/nfs/dbraw/zinc/35/76/96/169357696.db2.gz	KNVLQSINHMBKCE-UHFFFAOYSA-N	-2	1	181.126	0.795	40	0		ACABML
O=C([O-])c1cc2nc(F)c[n-]c-2n1	35269931	169357697	/nfs/dbraw/zinc/35/76/97/169357697.db2.gz	KNVLQSINHMBKCE-UHFFFAOYSA-N	-2	1	181.126	0.795	40	0		ACABML
Nc1c(C(=O)[O-])[nH]c(=O)[n-]c1=S	16958874	171031591	/nfs/dbraw/zinc/03/15/91/171031591.db2.gz	MISAIYIETZIGKR-UHFFFAOYSA-N	-2	1	187.180	0.125	40	0		ACABML
O=C([O-])c1nc2c[n-]cnc-2n1	45792978	171092985	/nfs/dbraw/zinc/09/29/85/171092985.db2.gz	QAJJXAGDCARCHD-UHFFFAOYSA-N	-2	1	164.124	0.003	40	0		ACABML
O=C([O-])c1nnc2cnc[n-]c1-2	82320474	171121907	/nfs/dbraw/zinc/12/19/07/171121907.db2.gz	WPJPIMHGGGPFKE-UHFFFAOYSA-N	-2	1	164.124	0.051	40	0		ACABML
CC[C@](C)(O)[P@](=O)([O-])O	1568300	342947817	/nfs/dbraw/zinc/94/78/17/342947817.db2.gz	IOZNYSJVGUQVOL-SCSAIBSYSA-N	-2	1	154.102	0.283	40	0		ACABML
CC[C@](C)(O)P(=O)([O-])[O-]	1568300	342947818	/nfs/dbraw/zinc/94/78/18/342947818.db2.gz	IOZNYSJVGUQVOL-SCSAIBSYSA-N	-2	1	154.102	0.283	40	0		ACABML
CCc1nc2c(C(=O)[O-])nnc-2c[n-]1	75397357	343576641	/nfs/dbraw/zinc/57/66/41/343576641.db2.gz	SWNUIMLZHMIVAU-UHFFFAOYSA-N	-2	1	192.178	0.614	40	0		ACABML
Cc1nc2c(C(=O)[O-])nnc-2c[n-]1	82320476	343598912	/nfs/dbraw/zinc/59/89/12/343598912.db2.gz	RGSDAWXGQMOPFG-UHFFFAOYSA-N	-2	1	178.151	0.360	40	0		ACABML
CC(C)C1=NC(C(=O)[O-])C(=O)C(=O)[N-]1	95635255	343685090	/nfs/dbraw/zinc/68/50/90/343685090.db2.gz	HUPZUOCILSQWLB-UHFFFAOYSA-N	-2	1	198.178	0.709	40	0	in-vitro	ACABML
CCO[P@](=O)([O-])CC(=O)[O-]	3653639	351319400	/nfs/dbraw/zinc/31/94/00/351319400.db2.gz	YLAHEMNFTNVLCV-UHFFFAOYSA-N	-2	1	168.085	0.293	40	0		ACABML
O=P([O-])([O-])[C@@H](O)c1ccncc1	26277005	351418005	/nfs/dbraw/zinc/41/80/05/351418005.db2.gz	YLAIKVDOERQUIK-ZCFIWIBFSA-N	-2	1	189.107	0.250	40	0		ACABML
O=P([O-])([O-])[C@H](O)c1ccncc1	26277011	351418121	/nfs/dbraw/zinc/41/81/21/351418121.db2.gz	YLAIKVDOERQUIK-LURJTMIESA-N	-2	1	189.107	0.250	40	0		ACABML
Nc1cc(C=O)cc(CC(=O)[O-])c1[O-]	225721968	351798494	/nfs/dbraw/zinc/79/84/94/351798494.db2.gz	VTQABROMGAWTNG-UHFFFAOYSA-N	-2	1	195.174	0.414	40	0		ACABML
O=C([O-])c1nnc2c([O-])cccn12	257810246	573398295	/nfs/dbraw/zinc/39/82/95/573398295.db2.gz	AHXHHQNFVHUQSJ-UHFFFAOYSA-N	-2	1	179.135	0.133	40	0		ACABML
O=C([O-])c1nnc2c(Cl)nc[n-]c1-2	82320481	573965944	/nfs/dbraw/zinc/96/59/44/573965944.db2.gz	NFUSSGCYUKYVHB-UHFFFAOYSA-N	-2	1	198.569	0.705	40	0		ACABML