smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)[O-])c(C)n1-c1cc(C(F)(F)F)ccc1Cl	ZINC000019230745	182109482	/nfs/dbraw/zinc/10/94/82/182109482.db2.gz	GNSRADUTHYDTDH-UHFFFAOYSA-N	-1	0	317.694	4.465	10	10		DICERM
Cc1nc([C@@H]2CCCN2Cc2cccc(Cl)c2[O-])cs1	ZINC000189937701	527053201	/nfs/dbraw/zinc/05/32/01/527053201.db2.gz	KRFPXXRDEDCRLK-AWEZNQCLSA-N	-1	0	308.834	4.148	10	10		DICERM
Cc1oc(C(=O)[O-])cc1COc1c(Cl)cccc1Cl	ZINC000011863971	181712735	/nfs/dbraw/zinc/71/27/35/181712735.db2.gz	SONVBXDUFWMECO-UHFFFAOYSA-N	-1	0	301.125	4.172	10	10		DICERM
N#CC(=C([O-])C(=O)c1c(Cl)cccc1Cl)c1ccccc1	ZINC000008381483	563346599	/nfs/dbraw/zinc/34/65/99/563346599.db2.gz	BAMTUDXIARUCRD-LLVKDONJSA-N	-1	0	318.159	4.053	10	10		DICERM
CCC(CC)C(=O)Nc1sc(-c2ccccc2)cc1C(=O)[O-]	ZINC000020335005	182209334	/nfs/dbraw/zinc/20/93/34/182209334.db2.gz	YAAQJDMOTNKDAM-UHFFFAOYSA-N	-1	0	317.410	4.488	10	10		DICERM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc(Cl)cc1	ZINC000137052516	563924301	/nfs/dbraw/zinc/92/43/01/563924301.db2.gz	VVKZIIHBIBYEKE-OAHLLOKOSA-N	-1	0	316.813	4.223	10	10		DICERM
N#CC(=C([O-])C(=O)c1c(Cl)cccc1Cl)c1ccccc1	ZINC000008381549	563346804	/nfs/dbraw/zinc/34/68/04/563346804.db2.gz	BAMTUDXIARUCRD-NSHDSACASA-N	-1	0	318.159	4.053	10	10		DICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	ZINC000004123682	181076740	/nfs/dbraw/zinc/07/67/40/181076740.db2.gz	VXRZGWAWDUYXCE-VEVIJQCQSA-N	-1	0	309.340	4.350	10	10		DICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000004549262	181122988	/nfs/dbraw/zinc/12/29/88/181122988.db2.gz	JVLADMZUXQWDJT-RLFYNMQTSA-N	-1	0	309.340	4.350	10	10		DICERM
O=C([O-])[C@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@H]21	ZINC000005730951	181277906	/nfs/dbraw/zinc/27/79/06/181277906.db2.gz	QPPYVZSFUYPJIJ-CPZGKSPBSA-N	-1	0	318.587	4.185	10	10		DICERM
C[C@H](Nc1cccc(-c2cnco2)c1)c1ccc(F)c(F)c1[O-]	ZINC000187889978	337268608	/nfs/dbraw/zinc/26/86/08/337268608.db2.gz	QUBULDDBZPEMQP-JTQLQIEISA-N	-1	0	316.307	4.499	10	10		DICERM
CCN(CC)c1ccc(CNc2cc(C(=O)[O-])ccc2C)cc1	ZINC000020878742	182251538	/nfs/dbraw/zinc/25/15/38/182251538.db2.gz	DAUKOJXNRQTEKQ-UHFFFAOYSA-N	-1	0	312.413	4.152	10	10		DICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000000241007	563920541	/nfs/dbraw/zinc/92/05/41/563920541.db2.gz	VXRZGWAWDUYXCE-JCGVRSQUSA-N	-1	0	309.340	4.350	10	10		DICERM
COc1ccc(Nc2cccc(C(F)(F)F)c2)c(C(=O)[O-])c1	ZINC000004019222	181063137	/nfs/dbraw/zinc/06/31/37/181063137.db2.gz	KFWFZIUNURVXCY-UHFFFAOYSA-N	-1	0	311.259	4.156	10	10		DICERM
Cc1oc(C(=O)[O-])cc1COc1ccc(Cl)c(Cl)c1	ZINC000011797673	181706186	/nfs/dbraw/zinc/70/61/86/181706186.db2.gz	TZEBFILQGSDUIE-UHFFFAOYSA-N	-1	0	301.125	4.172	10	10		DICERM
C[C@@H](Nc1cccc(-c2cnco2)c1)c1ccc(F)c(F)c1[O-]	ZINC000187890003	337268601	/nfs/dbraw/zinc/26/86/01/337268601.db2.gz	QUBULDDBZPEMQP-SNVBAGLBSA-N	-1	0	316.307	4.499	10	10		DICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	ZINC000004549259	181123324	/nfs/dbraw/zinc/12/33/24/181123324.db2.gz	JVLADMZUXQWDJT-DAYGRLMNSA-N	-1	0	309.340	4.350	10	10		DICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	ZINC000004549263	181123040	/nfs/dbraw/zinc/12/30/40/181123040.db2.gz	JVLADMZUXQWDJT-MPGHIAIKSA-N	-1	0	309.340	4.350	10	10		DICERM
Cc1oc(C(=O)[O-])cc1COc1cc(Cl)cc(Cl)c1	ZINC000011952942	181720129	/nfs/dbraw/zinc/72/01/29/181720129.db2.gz	FXOUKKSRBXCYDF-UHFFFAOYSA-N	-1	0	301.125	4.172	10	10		DICERM
Cc1noc(C)c1/N=N/c1ccc(Br)cc1C(=O)[O-]	ZINC000004986500	181184863	/nfs/dbraw/zinc/18/48/63/181184863.db2.gz	QSFIEXIXAROJPM-CCEZHUSRSA-N	-1	0	324.134	4.168	10	10		DICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	ZINC000004123692	181076805	/nfs/dbraw/zinc/07/68/05/181076805.db2.gz	VXRZGWAWDUYXCE-LXIYXOSZSA-N	-1	0	309.340	4.350	10	10		DICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	ZINC000004123693	181076644	/nfs/dbraw/zinc/07/66/44/181076644.db2.gz	VXRZGWAWDUYXCE-ZJNRKIDTSA-N	-1	0	309.340	4.350	10	10		DICERM
[O-]c1c(Cl)cccc1CN1CCCC[C@@H]1c1nccs1	ZINC000179964613	526326228	/nfs/dbraw/zinc/32/62/28/526326228.db2.gz	KEFVLGIWPKHWSB-CYBMUJFWSA-N	-1	0	308.834	4.229	10	10		DICERM
[O-]c1c(Cl)cccc1CN1CCCC[C@H]1c1nccs1	ZINC000179964627	526326397	/nfs/dbraw/zinc/32/63/97/526326397.db2.gz	KEFVLGIWPKHWSB-ZDUSSCGKSA-N	-1	0	308.834	4.229	10	10		DICERM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc(Cl)cc1	ZINC000137052560	563924312	/nfs/dbraw/zinc/92/43/12/563924312.db2.gz	VVKZIIHBIBYEKE-HNNXBMFYSA-N	-1	0	316.813	4.223	10	10		DICERM