smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CC[C@@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1	ZINC000008816535	556218066	/nfs/dbraw/zinc/21/80/66/556218066.db2.gz	MPFKWZDOHQBWFL-WPMOTLGCSA-N	1	1	441.531	4.418	10	30		IIEEMO
C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@H](O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000242687767	557848177	/nfs/dbraw/zinc/84/81/77/557848177.db2.gz	UVCZBQKGSYAGJD-XPOCMEGTSA-N	1	1	444.660	4.147	10	30		IIEEMO
C=CCOC[C@H](O)C[N@H+](CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccccc1	ZINC000036147733	518990798	/nfs/dbraw/zinc/99/07/98/518990798.db2.gz	CFFCPQCQEQEPTO-OAQYLSRUSA-N	1	1	441.959	4.307	10	30		IIEEMO
CC(C)(O)C#Cc1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)cc1	ZINC000012429858	562982134	/nfs/dbraw/zinc/98/21/34/562982134.db2.gz	UJUOZKJMZJQSQR-DPPGTGKWSA-N	1	1	448.994	4.400	10	30		IIEEMO
C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000242687759	557848228	/nfs/dbraw/zinc/84/82/28/557848228.db2.gz	UVCZBQKGSYAGJD-QWEPYURESA-N	1	1	444.660	4.147	10	30		IIEEMO
Cc1cc(C(=O)ONC(=[NH2+])c2ccc(C)c(F)c2)nn1Cc1c(Cl)cccc1Cl	ZINC000012370047	524194093	/nfs/dbraw/zinc/19/40/93/524194093.db2.gz	QVKSPEZPEXLORG-UHFFFAOYSA-N	1	1	435.286	4.471	10	30		IIEEMO
C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@@H](O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000242687764	557848222	/nfs/dbraw/zinc/84/82/22/557848222.db2.gz	UVCZBQKGSYAGJD-VTMNDVCESA-N	1	1	444.660	4.147	10	30		IIEEMO
C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000242687762	557848246	/nfs/dbraw/zinc/84/82/46/557848246.db2.gz	UVCZBQKGSYAGJD-DBYAYCEQSA-N	1	1	444.660	4.147	10	30		IIEEMO
C=CCOC[C@@H](O)C[N@H+](CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccccc1	ZINC000036147730	518986866	/nfs/dbraw/zinc/98/68/66/518986866.db2.gz	CFFCPQCQEQEPTO-NRFANRHFSA-N	1	1	441.959	4.307	10	30		IIEEMO
C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)NC(C)C)CC1	ZINC000012155164	518644697	/nfs/dbraw/zinc/64/46/97/518644697.db2.gz	PYYDKWFODUNRMW-FSSWDIPSSA-N	1	1	428.646	4.456	10	30		IIEEMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)NC(C)C)CC1	ZINC000012155164	518644701	/nfs/dbraw/zinc/64/47/01/518644701.db2.gz	PYYDKWFODUNRMW-FSSWDIPSSA-N	1	1	428.646	4.456	10	30		IIEEMO