smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccccc1/N=N/c1ccccc1	ZINC000005421291	169298733	/nfs/dbraw/zinc/29/87/33/169298733.db2.gz	KQZBSZUGKSCFBL-CCEZHUSRSA-N	0	0	197.241	3.684	10	10		AHCERN
N=Nc1ccc(Cl)cc1Cl	ZINC000021985134	169144150	/nfs/dbraw/zinc/14/41/50/169144150.db2.gz	QNXHDUOBEIHJOG-UHFFFAOYSA-N	0	0	175.018	3.656	10	10		AHCERN
Cc1ccc(C)n1-c1c(C)cccc1C	ZINC000032009783	343097121	/nfs/dbraw/zinc/09/71/21/343097121.db2.gz	DOUAJIXGFGKACP-UHFFFAOYSA-N	0	0	199.297	3.711	10	10		AHCERN
Cc1ccc(C)n1-c1cccc(C)c1C	ZINC000032009785	343097270	/nfs/dbraw/zinc/09/72/70/343097270.db2.gz	ZYAOBNNKTUTUJJ-UHFFFAOYSA-N	0	0	199.297	3.711	10	10		AHCERN
[N-]=[N+]=N[C@@H]1CCCCCC[C@@H]1N=[N+]=[N-]	ZINC000034069396	572050847	/nfs/dbraw/zinc/05/08/47/572050847.db2.gz	UFUYDIZMQKZPSO-OCAPTIKFSA-N	0	0	194.242	3.698	10	10		AHCERN
[N-]=[N+]=N[C@@H]1CCCCCC[C@H]1N=[N+]=[N-]	ZINC000034069397	572050625	/nfs/dbraw/zinc/05/06/25/572050625.db2.gz	UFUYDIZMQKZPSO-HTQZYQBOSA-N	0	0	194.242	3.698	10	10		AHCERN
[N-]=[N+]=N[C@H]1CCCCCC[C@@H]1N=[N+]=[N-]	ZINC000034069398	572050367	/nfs/dbraw/zinc/05/03/67/572050367.db2.gz	UFUYDIZMQKZPSO-YUMQZZPRSA-N	0	0	194.242	3.698	10	10		AHCERN
CCc1cccc(-n2c(C)ccc2C)c1	ZINC000035120136	167747744	/nfs/dbraw/zinc/74/77/44/167747744.db2.gz	XJOMXSTXROPCFB-UHFFFAOYSA-N	0	0	199.297	3.657	10	10		AHCERN
CC[C@@H]1CC[C@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])C1	ZINC000035803512	572186926	/nfs/dbraw/zinc/18/69/26/572186926.db2.gz	JDUOWIROULGCQB-GJMOJQLCSA-N	0	0	194.242	3.554	10	10		AHCERN
Nc1cccc(/N=N/c2ccccc2)c1	ZINC000037633771	169296190	/nfs/dbraw/zinc/29/61/90/169296190.db2.gz	FOTUJFGXQAJEIJ-CCEZHUSRSA-N	0	0	197.241	3.684	10	10		AHCERN
CC(C)(C)/N=N/C12CCC(CC1)C2	ZINC000039111979	166343354	/nfs/dbraw/zinc/34/33/54/166343354.db2.gz	GRDXETUKNUFUBK-OUKQBFOZSA-N	0	0	180.295	3.570	10	10		AHCERN
CC(C)(C)S/N=N\c1cccnc1	ZINC000039116795	171075227	/nfs/dbraw/zinc/07/52/27/171075227.db2.gz	JADHDNMYNBIKGJ-QXMHVHEDSA-N	0	0	195.291	3.612	10	10		AHCERN
Cc1ccc(-c2ccco2)n1C(C)C	ZINC000041204496	571980162	/nfs/dbraw/zinc/98/01/62/571980162.db2.gz	HFCOOBVGJBUGQH-UHFFFAOYSA-N	0	0	189.258	3.637	10	10		AHCERN
CCn1c(C)ccc1-c1cccs1	ZINC000041205560	167793952	/nfs/dbraw/zinc/79/39/52/167793952.db2.gz	BCCFKQLGROQWFO-UHFFFAOYSA-N	0	0	191.299	3.545	10	10		AHCERN
Cl/N=N\c1nc2ccccc2s1	ZINC000045236087	169016255	/nfs/dbraw/zinc/01/62/55/169016255.db2.gz	UTCGFSIEHALGIH-KHPPLWFESA-N	0	0	197.650	3.534	10	10		AHCERN
Nc1ccccc1/N=N\c1ccccc1	ZINC000103691297	169298308	/nfs/dbraw/zinc/29/83/08/169298308.db2.gz	KQZBSZUGKSCFBL-PFONDFGASA-N	0	0	197.241	3.684	10	10		AHCERN
[N-]=[N+]=NC=C1C2CC3CC(C2)CC1C3	ZINC000104531506	572995601	/nfs/dbraw/zinc/99/56/01/572995601.db2.gz	RCDOWVZFVPVZMV-UHFFFAOYSA-N	0	0	189.262	3.637	10	10		AHCERN
Cc1ccc(C(N=[N+]=[N-])N=[N+]=[N-])cc1	ZINC000196548841	572785679	/nfs/dbraw/zinc/78/56/79/572785679.db2.gz	VFHNCUGAMGWFGW-UHFFFAOYSA-N	0	0	188.194	3.614	10	10		AHCERN
N=NCc1ccc(-c2ccccc2)cc1	ZINC000205149366	572607419	/nfs/dbraw/zinc/60/74/19/572607419.db2.gz	SAJDLFNJIUYICG-UHFFFAOYSA-N	0	0	196.253	3.885	10	10		AHCERN
CC/N=N/c1cccc2ccccc21	ZINC000225941212	344489751	/nfs/dbraw/zinc/48/97/51/344489751.db2.gz	RGSDMKHNVTVQMU-BUHFOSPRSA-N	0	0	184.242	3.943	10	10		AHCERN
CC1(C)[C@@H](N=[N+]=[N-])CC[C@@]1(C)N=[N+]=[N-]	ZINC000238208913	573954078	/nfs/dbraw/zinc/95/40/78/573954078.db2.gz	MGSOLOPUUZVWCG-POYBYMJQSA-N	0	0	194.242	3.554	10	10		AHCERN
CC1(C)[C@@H](N=[N+]=[N-])CC[C@]1(C)N=[N+]=[N-]	ZINC000238208927	573954156	/nfs/dbraw/zinc/95/41/56/573954156.db2.gz	MGSOLOPUUZVWCG-XPUUQOCRSA-N	0	0	194.242	3.554	10	10		AHCERN
CCCCCCC1=CC(=O)CS1	ZINC000238231307	572398580	/nfs/dbraw/zinc/39/85/80/572398580.db2.gz	GBABNHOVSRIXGQ-UHFFFAOYSA-N	0	0	184.304	3.577	10	10		AHCERN
CCCCCCC1=CSCC1=O	ZINC000238232768	572412143	/nfs/dbraw/zinc/41/21/43/572412143.db2.gz	LCPFQVUGGXPCJC-UHFFFAOYSA-N	0	0	184.304	3.577	10	10		AHCERN
CCCCC[C@H](CN=[N+]=[N-])N=[N+]=[N-]	ZINC000238233013	572412650	/nfs/dbraw/zinc/41/26/50/572412650.db2.gz	RYTDEIOQTILQFX-SSDOTTSWSA-N	0	0	182.231	3.556	10	10		AHCERN
CC1(C)[C@H](N=[N+]=[N-])CC[C@@]1(C)N=[N+]=[N-]	ZINC000238236377	573999275	/nfs/dbraw/zinc/99/92/75/573999275.db2.gz	MGSOLOPUUZVWCG-HTRCEHHLSA-N	0	0	194.242	3.554	10	10		AHCERN
CC1(C)[C@H](N=[N+]=[N-])CC[C@]1(C)N=[N+]=[N-]	ZINC000238236395	573999758	/nfs/dbraw/zinc/99/97/58/573999758.db2.gz	MGSOLOPUUZVWCG-SVRRBLITSA-N	0	0	194.242	3.554	10	10		AHCERN
CC1(C)[C@H]2C[C@@H]1CCC2=CN=[N+]=[N-]	ZINC000238246868	574010301	/nfs/dbraw/zinc/01/03/01/574010301.db2.gz	IQSPGJBWRYFPJI-YKAJXJTPSA-N	0	0	177.251	3.637	10	10		AHCERN
CC[C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](N=[N+]=[N-])C1	ZINC000238264772	573067202	/nfs/dbraw/zinc/06/72/02/573067202.db2.gz	JDUOWIROULGCQB-PRJMDXOYSA-N	0	0	194.242	3.554	10	10		AHCERN
CC[C@@H]1CC[C@H](N=[N+]=[N-])[C@@H](N=[N+]=[N-])C1	ZINC000238265881	573068570	/nfs/dbraw/zinc/06/85/70/573068570.db2.gz	JDUOWIROULGCQB-CSMHCCOUSA-N	0	0	194.242	3.554	10	10		AHCERN
C=C(N=[N+]=[N-])c1cc(C)ccc1C	ZINC000238452656	573622504	/nfs/dbraw/zinc/62/25/04/573622504.db2.gz	IBIZVLVVCYUPQS-UHFFFAOYSA-N	0	0	173.219	3.584	10	10		AHCERN
C=C(N=[N+]=[N-])c1c(C)cc(C)cc1C	ZINC000238533787	573840133	/nfs/dbraw/zinc/84/01/33/573840133.db2.gz	UAFPVASLHVDNAE-UHFFFAOYSA-N	0	0	187.246	3.893	10	10		AHCERN
[N-]=[N+]=NC1=CC=C2C=CC=CC(=C1)C2	ZINC000238537761	573847910	/nfs/dbraw/zinc/84/79/10/573847910.db2.gz	UTKXBLIBKYYNHT-UHFFFAOYSA-N	0	0	183.214	3.563	10	10		AHCERN
Cc1ccc(/N=N/c2ccc[nH]2)cc1	ZINC000238553967	573880415	/nfs/dbraw/zinc/88/04/15/573880415.db2.gz	CVMMBRDVWXPZAK-BUHFOSPRSA-N	0	0	185.230	3.739	10	10		AHCERN
N=Nc1[nH]c(N=N)c(N=N)c1N=N	ZINC000238564942	572823183	/nfs/dbraw/zinc/82/31/83/572823183.db2.gz	CTAGDTDVHCBUSZ-UHFFFAOYSA-N	0	0	179.147	3.665	10	10		AHCERN
[N-]=[N+]=NCC1(CN=[N+]=[N-])CCCCC1	ZINC000238589083	572858585	/nfs/dbraw/zinc/85/85/85/572858585.db2.gz	KULVUHPBEGHOLT-UHFFFAOYSA-N	0	0	194.242	3.558	10	10		AHCERN
CC(C)(C)SN=Nc1cccnc1	ZINC000255980201	572604943	/nfs/dbraw/zinc/60/49/43/572604943.db2.gz	JADHDNMYNBIKGJ-UHFFFAOYSA-N	0	0	195.291	3.612	10	10		AHCERN
ClN=Nc1nc2ccccc2s1	ZINC000256005167	169020370	/nfs/dbraw/zinc/02/03/70/169020370.db2.gz	UTCGFSIEHALGIH-UHFFFAOYSA-N	0	0	197.650	3.534	10	10		AHCERN
Nc1ccccc1N=Nc1ccccc1	ZINC000256081330	573981825	/nfs/dbraw/zinc/98/18/25/573981825.db2.gz	KQZBSZUGKSCFBL-UHFFFAOYSA-N	0	0	197.241	3.684	10	10		AHCERN
CC/C=C/CC1=C(C)CCC1=S	ZINC000306806122	528768591	/nfs/dbraw/zinc/76/85/91/528768591.db2.gz	IRVMUSROOCPJJU-SNAWJCMRSA-N	0	0	180.316	3.823	10	10		AHCERN
CC(C)(N=NC(C)(C)N=[N+]=[N-])N=[N+]=[N-]	ZINC000308365396	573368868	/nfs/dbraw/zinc/36/88/68/573368868.db2.gz	KORBEOQXGCUXIL-MDZDMXLPSA-N	0	0	196.218	3.531	10	10		AHCERN
CCN=Nc1cccc2ccccc21	ZINC000308418373	573694290	/nfs/dbraw/zinc/69/42/90/573694290.db2.gz	RGSDMKHNVTVQMU-UHFFFAOYSA-N	0	0	184.242	3.943	10	10		AHCERN
CC1(C)[C@H]2C[C@@H]1CCC2=CN=[N+]=[N-]	ZINC000687750154	571943651	/nfs/dbraw/zinc/94/36/51/571943651.db2.gz	IQSPGJBWRYFPJI-YYRDVDDBSA-N	0	0	177.251	3.637	10	10		AHCERN
CC1(C)C(=CN=[N+]=[N-])[C@@H]2CC[C@H]1C2	ZINC000687750193	571942012	/nfs/dbraw/zinc/94/20/12/571942012.db2.gz	YUQPYKLCFSQCRH-JESIJGHFSA-N	0	0	177.251	3.637	10	10		AHCERN