smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1CC[NH+](C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1	ZINC000217793127	553053375	/nfs/dbraw/zinc/05/33/75/553053375.db2.gz	NQVHEFCIJQRCKF-UHFFFAOYSA-N	1	0	386.945	2.745	50	70		GFIARO
Cc1ccc(CNC(=O)C2CCN(c3cc(C4CC([NH3+])C4)nc(C)n3)CC2)cc1	ZINC000218428869	533980321	/nfs/dbraw/zinc/98/03/21/533980321.db2.gz	SYLUYWVRJDWJQR-UHFFFAOYSA-N	1	0	393.535	2.831	50	70		GFIARO
[NH3+]C[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Br)o1	ZINC000160208731	206209490	/nfs/dbraw/zinc/20/94/90/206209490.db2.gz	PQXGKINNHIZKAW-GFCCVEGCSA-N	1	0	378.270	2.986	50	70		GFIARO
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)C2	ZINC000218754113	570340371	/nfs/dbraw/zinc/34/03/71/570340371.db2.gz	NDNHVAIDWGMVRN-KRWDZBQOSA-N	1	0	382.508	2.968	50	70		GFIARO
[NH3+]C[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Br)o1	ZINC000160208851	209109856	/nfs/dbraw/zinc/10/98/56/209109856.db2.gz	PQXGKINNHIZKAW-LBPRGKRZSA-N	1	0	378.270	2.986	50	70		GFIARO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)CCSCc3ccccc3)C2)CC1	ZINC000218271772	570329592	/nfs/dbraw/zinc/32/95/92/570329592.db2.gz	MCUYBSCGQFKNMY-FQEVSTJZSA-N	1	0	375.582	2.796	50	70		GFIARO
Cc1c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCCC2)c2cc(O)ccc2n1C	ZINC000218541056	211760465	/nfs/dbraw/zinc/76/04/65/211760465.db2.gz	OUTLTAXRVNGXFN-CGRMTHRGSA-N	1	0	383.492	2.564	50	70		GFIARO
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)C2	ZINC000218754066	570340226	/nfs/dbraw/zinc/34/02/26/570340226.db2.gz	NDNHVAIDWGMVRN-QGZVFWFLSA-N	1	0	382.508	2.968	50	70		GFIARO
C[NH+]1CCC(C(=O)NCc2nnc(-c3ccccc3)[nH]2)(c2ccccc2)CC1	ZINC000217588844	570318812	/nfs/dbraw/zinc/31/88/12/570318812.db2.gz	AASVZSSEQLJXPB-UHFFFAOYSA-N	1	0	375.476	2.752	50	70		GFIARO
COC1CC[NH+](C2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)CC1	ZINC000217792937	553053479	/nfs/dbraw/zinc/05/34/79/553053479.db2.gz	YPPZBZUKCMHULP-UHFFFAOYSA-N	1	0	386.945	2.912	50	70		GFIARO
[NH3+][C@@H]1CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C1	ZINC000160266523	551578041	/nfs/dbraw/zinc/57/80/41/551578041.db2.gz	NFPGFTUQSPLGNJ-LLVKDONJSA-N	1	0	380.217	2.949	50	70		GFIARO
COC1CC[NH+](C2CCN(C(=O)c3cncc(Br)c3)CC2)CC1	ZINC000217774588	553053541	/nfs/dbraw/zinc/05/35/41/553053541.db2.gz	OXTLCJWOZMDGAZ-UHFFFAOYSA-N	1	0	382.302	2.560	50	70		GFIARO
CCn1c(CCNc2cc(C3CC([NH3+])C3)nc(COC)n2)nc2ccccc21	ZINC000218638480	570338276	/nfs/dbraw/zinc/33/82/76/570338276.db2.gz	FXCLMEDEGNEPPS-UHFFFAOYSA-N	1	0	380.496	2.852	50	70		GFIARO
C[C@H](O)c1cc2n(n1)CCC[N@H+](CCC(=O)NCc1cccc(Cl)c1)C2	ZINC000217428373	570315862	/nfs/dbraw/zinc/31/58/62/570315862.db2.gz	WBQCBADOCBBSRN-AWEZNQCLSA-N	1	0	376.888	2.502	50	70		GFIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(c2ccc(Cl)nn2)CC1	ZINC000217595112	136203362	/nfs/dbraw/zinc/20/33/62/136203362.db2.gz	JUIUOTIUIWZUJS-DLBZAZTESA-N	1	0	391.947	2.727	50	70		GFIARO
CN(CCCOc1ccccc1Cl)C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1	ZINC000216983883	570310705	/nfs/dbraw/zinc/31/07/05/570310705.db2.gz	DSSIGZVFBDZSGF-SFHVURJKSA-N	1	0	379.932	2.784	50	70		GFIARO
CN1CC[NH+](C[C@H]2CCCN(C(=O)CCSCc3ccccc3)C2)CC1	ZINC000218271833	570329436	/nfs/dbraw/zinc/32/94/36/570329436.db2.gz	MCUYBSCGQFKNMY-HXUWFJFHSA-N	1	0	375.582	2.796	50	70		GFIARO
O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCn2nc([C@@H](O)C3CC3)cc2C1	ZINC000218634738	570338329	/nfs/dbraw/zinc/33/83/29/570338329.db2.gz	DNBQKLWXDJFQRR-QHCPKHFHSA-N	1	0	394.519	2.548	50	70		GFIARO
C[C@@H](O)c1cc2n(n1)CCC[N@H+](CCC(=O)NCc1cccc(Cl)c1)C2	ZINC000217428288	533863741	/nfs/dbraw/zinc/86/37/41/533863741.db2.gz	WBQCBADOCBBSRN-CQSZACIVSA-N	1	0	376.888	2.502	50	70		GFIARO
COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2cnn(-c3ccccc3)c2)n1	ZINC000218085374	518101722	/nfs/dbraw/zinc/10/17/22/518101722.db2.gz	NOZYBJRROIZBNH-UHFFFAOYSA-N	1	0	378.480	2.650	50	70		GFIARO
O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCn2nc([C@H](O)C3CC3)cc2C1	ZINC000218634811	570338094	/nfs/dbraw/zinc/33/80/94/570338094.db2.gz	DNBQKLWXDJFQRR-HSZRJFAPSA-N	1	0	394.519	2.548	50	70		GFIARO