smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@]1(NCc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000044933731	348330551	/nfs/dbraw/zinc/33/05/51/348330551.db2.gz	WWYBEPZATKWPJF-GFCCVEGCSA-N	0	3	254.355	0.936	40	10		CCCBHN
CNCC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000019486858	348063866	/nfs/dbraw/zinc/06/38/66/348063866.db2.gz	PMVKEUNNTJSMDA-UHFFFAOYSA-N	0	3	263.341	0.563	40	10		CCCBHN
COc1ccc2c(n1)SC1=C(N)NC(=N)NC1=N2	ZINC000001733434	277448121	/nfs/dbraw/zinc/44/81/21/277448121.db2.gz	LHABWFJUCMQSEM-UHFFFAOYSA-N	0	3	262.298	0.481	40	10		CCCBHN
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCN)C(=O)C2=O	ZINC000085385684	179046488	/nfs/dbraw/zinc/04/64/88/179046488.db2.gz	IACROKIOKHAOSF-QWHCGFSZSA-N	0	3	252.314	0.026	40	10		CCCBHN
CC[C@@H]1COc2nc(=O)c(C=NCCCN(C)C)c(N)n21	ZINC000104268755	349713279	/nfs/dbraw/zinc/71/32/79/349713279.db2.gz	DRTZAMOCXZIZLZ-LBRMCOMOSA-N	0	3	293.371	0.396	40	10		CCCBHN
C[C@]1(NCc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000044933729	348330453	/nfs/dbraw/zinc/33/04/53/348330453.db2.gz	WWYBEPZATKWPJF-LBPRGKRZSA-N	0	3	254.355	0.936	40	10		CCCBHN
N#[N+]C=C([O-])C1[C@H]2C=C[C@@H]3C(C([O-])=C[N+]#N)[C@H]4C=C[C@H]1C4C23	ZINC000104290828	534459762	/nfs/dbraw/zinc/45/97/62/534459762.db2.gz	OSMYTTDEZNBHNO-VELKFFBXSA-N	0	3	294.314	0.822	40	10		CCCBHN
O=C1c2ccccc2C(=O)N1[N-][N+](=O)N1CCOCC1	ZINC000104229954	534974436	/nfs/dbraw/zinc/97/44/36/534974436.db2.gz	AZXZODIWLWRJIJ-UHFFFAOYSA-N	0	3	276.252	0.407	40	10		CCCBHN
CN(C)c1ccc(CN2CCOC[C@H](O)C2)cc1	ZINC000077266041	177247468	/nfs/dbraw/zinc/24/74/68/177247468.db2.gz	CBJNVCVHYMELHE-CQSZACIVSA-N	0	3	250.342	0.946	40	10	biogenic,in-vitro	CCCBHN
CC[C@@H]1COc2nc(=O)c(C=NCCCN(C)C)c(N)n21	ZINC000104268750	349713312	/nfs/dbraw/zinc/71/33/12/349713312.db2.gz	DRTZAMOCXZIZLZ-BHSHLBPJSA-N	0	3	293.371	0.396	40	10		CCCBHN
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCN)C(=O)C2=O	ZINC000085385687	281544066	/nfs/dbraw/zinc/54/40/66/281544066.db2.gz	IACROKIOKHAOSF-OLZOCXBDSA-N	0	3	252.314	0.026	40	10		CCCBHN
C[C@]1(NCCNCc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000575420105	390839790	/nfs/dbraw/zinc/83/97/90/390839790.db2.gz	FUZYPIIFEIJIKK-AWEZNQCLSA-N	0	3	297.424	0.525	40	10		CCCBHN
C[C@@]1(NCCNCc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000575420106	390839630	/nfs/dbraw/zinc/83/96/30/390839630.db2.gz	FUZYPIIFEIJIKK-CQSZACIVSA-N	0	3	297.424	0.525	40	10		CCCBHN