smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)n1[C@@H](C)c1ccccc1	ZINC000008729247	343020349	/nfs/dbraw/zinc/02/03/49/343020349.db2.gz	QAWXOZABZNDGFI-ZDUSSCGKSA-N	0	0	199.297	3.714	40	10		AHCBRN
Cc1ccc(C)n1[C@H](C)c1ccccc1	ZINC000008729250	343020424	/nfs/dbraw/zinc/02/04/24/343020424.db2.gz	QAWXOZABZNDGFI-CYBMUJFWSA-N	0	0	199.297	3.714	40	10		AHCBRN
O=C1C=CC=CC1=NNc1ccccc1	ZINC000033839053	351432664	/nfs/dbraw/zinc/43/26/64/351432664.db2.gz	PEXGTUZWTLMFID-BUHFOSPRSA-N	0	0	198.225	3.808	40	10		AHCBRN
Oc1cccc(/N=N/c2ccccc2)c1	ZINC000076495261	351624981	/nfs/dbraw/zinc/62/49/81/351624981.db2.gz	JJDKCHBQWVTFBN-BUHFOSPRSA-N	0	0	198.225	3.808	40	10		AHCBRN
CC/C=C\CC1=C(C)CCC1=S	ZINC000083310075	325608576	/nfs/dbraw/zinc/60/85/76/325608576.db2.gz	IRVMUSROOCPJJU-PLNGDYQASA-N	0	0	180.316	3.823	40	10		AHCBRN
S=Cc1cccc(-c2ccccc2)c1	ZINC000095935369	169463182	/nfs/dbraw/zinc/46/31/82/169463182.db2.gz	LLTKEPIILOJYBU-UHFFFAOYSA-N	0	0	198.290	3.701	40	10		AHCBRN
O=C1C=CC(=NNc2ccccc2)C=C1	ZINC000100010401	409441011	/nfs/dbraw/zinc/44/10/11/409441011.db2.gz	BEYOBVMPDRKTNR-YPKPFQOOSA-N	0	0	198.225	3.808	40	10		AHCBRN
O=C1C=CC=CC1=NNc1ccccc1	ZINC000100854688	169459024	/nfs/dbraw/zinc/45/90/24/169459024.db2.gz	PEXGTUZWTLMFID-YPKPFQOOSA-N	0	0	198.225	3.808	40	10		AHCBRN
S=C1C=Cc2cccc3cccc1c32	ZINC000115189260	351724769	/nfs/dbraw/zinc/72/47/69/351724769.db2.gz	SQRUCVOQJURTJL-UHFFFAOYSA-N	0	0	196.274	3.585	40	10		AHCBRN
CC(C)(C)C(=S)c1cccs1	ZINC000205371350	166346380	/nfs/dbraw/zinc/34/63/80/166346380.db2.gz	DVZRACGLWNFTIJ-UHFFFAOYSA-N	0	0	184.329	3.512	40	10		AHCBRN
S=C(c1ccccc1)C1CCCC1	ZINC000228968937	526386963	/nfs/dbraw/zinc/38/69/63/526386963.db2.gz	QNSQAOJUOJPPAC-UHFFFAOYSA-N	0	0	190.311	3.595	40	10		AHCBRN
Oc1cccc(N=Nc2ccccc2)c1	ZINC000250534246	344835981	/nfs/dbraw/zinc/83/59/81/344835981.db2.gz	JJDKCHBQWVTFBN-UHFFFAOYSA-N	0	0	198.225	3.808	40	10		AHCBRN
O=C1C=CC=CC1=NNc1ccccc1	ZINC000253618238	344935049	/nfs/dbraw/zinc/93/50/49/344935049.db2.gz	PEXGTUZWTLMFID-UHFFFAOYSA-N	0	0	198.225	3.808	40	10		AHCBRN
C[C@]12C[C@@H]3C[C@](N=N)(C1)C[C@@](C)(C3)C2	ZINC000584578338	346718853	/nfs/dbraw/zinc/71/88/53/346718853.db2.gz	VXUZZDMDUAPIPE-CDECOKDKSA-N	0	0	192.306	3.766	40	10		AHCBRN