smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2ccccc2n(C)c1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000423083935	943388156	/nfs/dbraw/zinc/38/81/56/943388156.db2.gz	GORGLNJLBDZGSN-WMZHIEFXSA-N	1	3	361.489	3.832	20	10		FHCDHO
CCCCN1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000164495809	947571648	/nfs/dbraw/zinc/57/16/48/947571648.db2.gz	VGPXTEDXIMREBL-KRWDZBQOSA-N	1	3	363.521	3.577	20	10		FHCDHO
Cc1cc(Br)cc(CN2CCC(C[NH+]3CCCC3)CC2)c1O	ZINC000317500390	931454369	/nfs/dbraw/zinc/45/43/69/931454369.db2.gz	LOCBJLDFWXQCQF-UHFFFAOYSA-N	1	3	367.331	3.771	20	10		FHCDHO
Cc1cc(C)c([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(O)c1	ZINC000840885075	946490270	/nfs/dbraw/zinc/49/02/70/946490270.db2.gz	UZXIXPXEFHNYLX-IBGZPJMESA-N	1	3	368.521	3.687	20	10		FHCDHO
COc1cc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(O)cc1C	ZINC000160322128	929786908	/nfs/dbraw/zinc/78/69/08/929786908.db2.gz	ULHYUXSUZBOWCC-LJQANCHMSA-N	1	3	354.494	3.663	20	10		FHCDHO
COc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)cc1C	ZINC000160322128	929786911	/nfs/dbraw/zinc/78/69/11/929786911.db2.gz	ULHYUXSUZBOWCC-LJQANCHMSA-N	1	3	354.494	3.663	20	10		FHCDHO
CC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(C)cc1O	ZINC000280276134	942155664	/nfs/dbraw/zinc/15/56/64/942155664.db2.gz	YETIXDYDXFBKQA-JOCHJYFZSA-N	1	3	368.521	3.898	20	10		FHCDHO
Cc1cc(Br)cc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1[O-]	ZINC000834909586	932293107	/nfs/dbraw/zinc/29/31/07/932293107.db2.gz	SNIZYVBUHZNJMS-ZDUSSCGKSA-N	1	3	355.320	3.988	20	10		FHCDHO
Cc1cc(Br)cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1[O-]	ZINC000834909586	932293110	/nfs/dbraw/zinc/29/31/10/932293110.db2.gz	SNIZYVBUHZNJMS-ZDUSSCGKSA-N	1	3	355.320	3.988	20	10		FHCDHO
CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1[O-]	ZINC000157930518	935230770	/nfs/dbraw/zinc/23/07/70/935230770.db2.gz	USGVKTWVJLICFT-TZIWHRDSSA-N	1	3	354.494	3.590	20	10		FHCDHO
CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1[O-]	ZINC000157930518	935230772	/nfs/dbraw/zinc/23/07/72/935230772.db2.gz	USGVKTWVJLICFT-TZIWHRDSSA-N	1	3	354.494	3.590	20	10		FHCDHO
CC(C)(C)c1cc(C[NH2+]C[C@H](O)CN2CCCC2)c(O)c(C(C)(C)C)c1	ZINC000236779177	947685691	/nfs/dbraw/zinc/68/56/91/947685691.db2.gz	SSHLEVUJLXJTKW-SFHVURJKSA-N	1	3	362.558	3.534	20	10		FHCDHO
Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)c(O)c1C	ZINC000273618396	942997600	/nfs/dbraw/zinc/99/76/00/942997600.db2.gz	YHSDQGXRYWJCIN-SFHVURJKSA-N	1	3	368.521	3.817	20	10		FHCDHO
C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(N2CCOCC2)c(F)c1	ZINC000123621535	937165134	/nfs/dbraw/zinc/16/51/34/937165134.db2.gz	STLPCIGYDXSGDY-KRWDZBQOSA-N	1	3	371.500	3.575	20	10		FHCDHO
COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccc3[O-])CC2)cc1	ZINC000183469736	942877502	/nfs/dbraw/zinc/87/75/02/942877502.db2.gz	UGLZIABOMMHPDU-QGZVFWFLSA-N	1	3	354.494	3.964	20	10		FHCDHO
C[C@H]1CN(CCCC[NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1	ZINC000067453177	948795102	/nfs/dbraw/zinc/79/51/02/948795102.db2.gz	KIQQUPSKKHOMPZ-PMACEKPBSA-N	1	3	359.558	3.656	20	10		FHCDHO
CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1[O-]	ZINC000157930374	935230633	/nfs/dbraw/zinc/23/06/33/935230633.db2.gz	USGVKTWVJLICFT-CTNGQTDRSA-N	1	3	354.494	3.590	20	10		FHCDHO
CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1[O-]	ZINC000157930374	935230642	/nfs/dbraw/zinc/23/06/42/935230642.db2.gz	USGVKTWVJLICFT-CTNGQTDRSA-N	1	3	354.494	3.590	20	10		FHCDHO
CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1[O-]	ZINC000186178046	943281653	/nfs/dbraw/zinc/28/16/53/943281653.db2.gz	NSAMXTDFHFJKSW-OAQYLSRUSA-N	1	3	354.494	3.590	20	10		FHCDHO
COc1ccc(CNCc2ccccc2C[NH+]2CCCCC2)c(O)c1OC	ZINC000892466184	939215738	/nfs/dbraw/zinc/21/57/38/939215738.db2.gz	KWZAGBUJNMQACV-UHFFFAOYSA-N	1	3	370.493	3.685	20	10		FHCDHO
CC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(C)cc1O	ZINC000280276135	942155538	/nfs/dbraw/zinc/15/55/38/942155538.db2.gz	YETIXDYDXFBKQA-QFIPXVFZSA-N	1	3	368.521	3.898	20	10		FHCDHO
Cc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(O)c1C	ZINC000840883549	946366388	/nfs/dbraw/zinc/36/63/88/946366388.db2.gz	FOHGARJNTUVGNG-IBGZPJMESA-N	1	3	368.521	3.687	20	10		FHCDHO
COc1cc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(O)cc1C	ZINC000160321987	929786999	/nfs/dbraw/zinc/78/69/99/929786999.db2.gz	ULHYUXSUZBOWCC-IBGZPJMESA-N	1	3	354.494	3.663	20	10		FHCDHO
COc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)cc1C	ZINC000160321987	929787004	/nfs/dbraw/zinc/78/70/04/929787004.db2.gz	ULHYUXSUZBOWCC-IBGZPJMESA-N	1	3	354.494	3.663	20	10		FHCDHO
C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1	ZINC000067453175	948795877	/nfs/dbraw/zinc/79/58/77/948795877.db2.gz	KIQQUPSKKHOMPZ-BGYRXZFFSA-N	1	3	359.558	3.656	20	10		FHCDHO
Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000423083739	943387941	/nfs/dbraw/zinc/38/79/41/943387941.db2.gz	GORGLNJLBDZGSN-AUSIDOKSSA-N	1	3	361.489	3.832	20	10		FHCDHO
CC[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1[O-]	ZINC000364357157	944446562	/nfs/dbraw/zinc/44/65/62/944446562.db2.gz	CVLDVCQVGXJUIN-OAQYLSRUSA-N	1	3	359.558	3.629	20	10		FHCDHO
Cc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(O)c1C	ZINC000840883550	946366488	/nfs/dbraw/zinc/36/64/88/946366488.db2.gz	FOHGARJNTUVGNG-LJQANCHMSA-N	1	3	368.521	3.687	20	10		FHCDHO
C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1[O-]	ZINC000183450480	942875320	/nfs/dbraw/zinc/87/53/20/942875320.db2.gz	OYCCQBYWHNQEFW-IBGZPJMESA-N	1	3	353.510	3.645	20	10		FHCDHO
CCCN(c1ccc(C[NH3+])cc1)C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000194980224	944775858	/nfs/dbraw/zinc/77/58/58/944775858.db2.gz	XJIAMIMJECRDGI-UHFFFAOYSA-N	1	3	362.521	3.898	20	10		FHCDHO
Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)c(O)c1C	ZINC000273618394	942997650	/nfs/dbraw/zinc/99/76/50/942997650.db2.gz	YHSDQGXRYWJCIN-GOSISDBHSA-N	1	3	368.521	3.817	20	10		FHCDHO
Cc1c2ccccc2n(C)c1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000423083933	943388400	/nfs/dbraw/zinc/38/84/00/943388400.db2.gz	GORGLNJLBDZGSN-CVDCTZTESA-N	1	3	361.489	3.832	20	10		FHCDHO
Cc1cc(C)c([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(O)c1	ZINC000840885076	946490427	/nfs/dbraw/zinc/49/04/27/946490427.db2.gz	UZXIXPXEFHNYLX-LJQANCHMSA-N	1	3	368.521	3.687	20	10		FHCDHO
C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1	ZINC000067453178	948795973	/nfs/dbraw/zinc/79/59/73/948795973.db2.gz	KIQQUPSKKHOMPZ-WOJBJXKFSA-N	1	3	359.558	3.656	20	10		FHCDHO
C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1[O-]	ZINC000183450500	942875393	/nfs/dbraw/zinc/87/53/93/942875393.db2.gz	OYCCQBYWHNQEFW-LJQANCHMSA-N	1	3	353.510	3.645	20	10		FHCDHO
Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000423083937	943388204	/nfs/dbraw/zinc/38/82/04/943388204.db2.gz	GORGLNJLBDZGSN-XXBNENTESA-N	1	3	361.489	3.832	20	10		FHCDHO
CC[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1[O-]	ZINC000364357153	944446712	/nfs/dbraw/zinc/44/67/12/944446712.db2.gz	CVLDVCQVGXJUIN-NRFANRHFSA-N	1	3	359.558	3.629	20	10		FHCDHO
C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1[O-]	ZINC000183644810	942899297	/nfs/dbraw/zinc/89/92/97/942899297.db2.gz	DGYFPIAVNHPNBG-SFHVURJKSA-N	1	3	354.494	3.760	20	10		FHCDHO
CN1CCCc2cc(CNC3CC[NH+](CCc4ccccc4)CC3)ccc21	ZINC000237188320	948311139	/nfs/dbraw/zinc/31/11/39/948311139.db2.gz	KTCHTWRRLFQVHI-UHFFFAOYSA-N	1	3	363.549	3.866	20	10		FHCDHO