smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CC#CC[N@@H+]1CCC[C@@]2(CCOC(C)(C)C2)C1	ZINC000003155524	289071850	/nfs/dbraw/zinc/07/18/50/289071850.db2.gz	FNHNVWBVDVWANA-KRWDZBQOSA-N	2	0	278.440	2.223	40	30		CEEBRP
CC[N+](C)(CC)CCOC(=O)[C@H]1CCC[C@@H](C)[N+]1(C)C	ZINC000001999369	361224497	/nfs/dbraw/zinc/22/44/97/361224497.db2.gz	YMGPQLQONLLWJR-HUUCEWRRSA-N	2	0	286.460	2.033	40	30	in-man	CEEBRP
Nc1ccccc1/C=[NH+]/CC/[NH+]=C\c1ccccc1N	ZINC000002527954	361238070	/nfs/dbraw/zinc/23/80/70/361238070.db2.gz	ZFIFWHZGMOGXDV-UHWBUFEVSA-N	2	0	266.348	2.389	40	30		CEEBRP
CCN(CC)C(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1	ZINC000005561417	170114059	/nfs/dbraw/zinc/11/40/59/170114059.db2.gz	BBPAXKLEQHXWCH-UHFFFAOYSA-N	2	0	267.764	2.152	40	30		CEEBRP
C#C[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(F)c(F)c1	ZINC000020503766	361583590	/nfs/dbraw/zinc/58/35/90/361583590.db2.gz	DHIKTLOUHULVOQ-SOUVJXGZSA-N	2	0	290.357	2.398	40	30	biogenic,in-vitro	CEEBRP
C[NH+](C)CCC(C#N)(CC[NH+](C)C)c1ccccc1	ZINC000001675355	361216661	/nfs/dbraw/zinc/21/66/61/361216661.db2.gz	LIESQWIGGCWDMF-UHFFFAOYSA-N	2	0	259.397	2.351	40	30		CEEBRP
CC[N+](CC)(CC)CCC[n+]1ccc(/C=N/O)cc1	ZINC000016999890	361500801	/nfs/dbraw/zinc/50/08/01/361500801.db2.gz	QUOGHPPVIHDBIH-UHFFFAOYSA-O	2	0	265.401	2.049	40	30		CEEBRP
CC[N+](C)(CC)CCOC(=O)[C@@H]1CCC[C@H](C)[N+]1(C)C	ZINC000001999372	394452455	/nfs/dbraw/zinc/45/24/55/394452455.db2.gz	YMGPQLQONLLWJR-GJZGRUSLSA-N	2	0	286.460	2.033	40	30	in-man	CEEBRP
C[NH+](C)CC#CC[N@@H+]1CCC[C@]2(CCOC(C)(C)C2)C1	ZINC000003155525	289072158	/nfs/dbraw/zinc/07/21/58/289072158.db2.gz	FNHNVWBVDVWANA-QGZVFWFLSA-N	2	0	278.440	2.223	40	30		CEEBRP
C#CC[N+]1(CC#CCCC[N+]2(CC#C)CCCC2)CCCC1	ZINC000004692028	169999792	/nfs/dbraw/zinc/99/97/92/169999792.db2.gz	CXBSEWOKRUHLBO-UHFFFAOYSA-N	2	0	298.474	2.258	40	30		CEEBRP
NC(=[NH2+])NC(=[NH2+])Nc1cc2ccccc2c2ccccc12	ZINC000006583961	170215650	/nfs/dbraw/zinc/21/56/50/170215650.db2.gz	FTPZXGWEJWEUOK-UHFFFAOYSA-N	2	0	277.331	2.213	40	30		CEEBRP
C#CC[N+](CC)(CC)CC#CCC[N+](CC)(CC)CC#C	ZINC000004692260	361327621	/nfs/dbraw/zinc/32/76/21/361327621.db2.gz	FBTYISCVDODPBN-UHFFFAOYSA-N	2	0	288.479	2.360	40	30		CEEBRP
CC[N+](C)(CC)CCOC(=O)[C@H]1CCC[C@H](C)[N+]1(C)C	ZINC000001999371	288492417	/nfs/dbraw/zinc/49/24/17/288492417.db2.gz	YMGPQLQONLLWJR-LSDHHAIUSA-N	2	0	286.460	2.033	40	30	in-man	CEEBRP
Nc1ccccc1/C=[NH+]\CC/[NH+]=C\c1ccccc1N	ZINC000100016692	364537715	/nfs/dbraw/zinc/53/77/15/364537715.db2.gz	ZFIFWHZGMOGXDV-YZLQMOBTSA-N	2	0	266.348	2.389	40	30		CEEBRP
CC[N+](C)(CC)CCOC(=O)[C@@H]1CCC[C@@H](C)[N+]1(C)C	ZINC000001999370	281354346	/nfs/dbraw/zinc/35/43/46/281354346.db2.gz	YMGPQLQONLLWJR-CABCVRRESA-N	2	0	286.460	2.033	40	30	in-man	CEEBRP
CCCN(CCC)C(=[NH2+])NC(=[NH2+])N(CCC)CCC	ZINC000223069073	370259711	/nfs/dbraw/zinc/25/97/11/370259711.db2.gz	CVXALLDRFAKOPK-UHFFFAOYSA-N	2	0	269.437	2.480	40	30		CEEBRP
CNC(=[NH2+])SCCCCCCSC(=[NH2+])NC	ZINC000001666239	361215017	/nfs/dbraw/zinc/21/50/17/361215017.db2.gz	GTCXRHPGRCOYQP-UHFFFAOYSA-N	2	0	262.448	2.112	40	30		CEEBRP
CC(C)N(C(=[NH2+])NC(=[NH2+])N(C(C)C)C(C)C)C(C)C	ZINC000223068993	370259340	/nfs/dbraw/zinc/25/93/40/370259340.db2.gz	UGWYUWQXRMTTIT-UHFFFAOYSA-N	2	0	269.437	2.473	40	30		CEEBRP