smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCCC1	ZINC000075127933	398787992	/nfs/dbraw/zinc/78/79/92/398787992.db2.gz	BOIGEZKTHNADOO-HNNXBMFYSA-N	2	1	320.506	2.761	50	30		DFEAMP
C[N@H+](Cc1cc(C#CCO)cs1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000065380897	184332152	/nfs/dbraw/zinc/33/21/52/184332152.db2.gz	UZMUPGBLIZWHSO-UHFFFAOYSA-N	2	1	320.502	2.833	50	30		DFEAMP
C[N@@H+](Cc1cc(C#CCO)cs1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000065380897	184332154	/nfs/dbraw/zinc/33/21/54/184332154.db2.gz	UZMUPGBLIZWHSO-UHFFFAOYSA-N	2	1	320.502	2.833	50	30		DFEAMP
COc1ccc(/C=[NH+]/CC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000006576983	181355981	/nfs/dbraw/zinc/35/59/81/181355981.db2.gz	WOAIYBQMKKZABM-ZEROTVIDSA-N	2	1	304.434	2.595	50	30		DFEAMP
C=CCOc1c(Cl)cc(C[NH2+]CCC[NH+](C)C)cc1OC	ZINC000008373830	425667029	/nfs/dbraw/zinc/66/70/29/425667029.db2.gz	RRVBAWSPWIXSIY-UHFFFAOYSA-N	2	1	312.841	2.955	50	30		DFEAMP
C[C@@H](NC(NCC[N@H+](C)C1CC1)=[NH+]C1CC1)c1cccs1	ZINC000075583401	398811199	/nfs/dbraw/zinc/81/11/99/398811199.db2.gz	JRGAQXQKPUPXNK-GFCCVEGCSA-N	2	1	306.479	2.601	50	30		DFEAMP
C[C@@H](NC(NCC[N@@H+](C)C1CC1)=[NH+]C1CC1)c1cccs1	ZINC000075583401	398811201	/nfs/dbraw/zinc/81/12/01/398811201.db2.gz	JRGAQXQKPUPXNK-GFCCVEGCSA-N	2	1	306.479	2.601	50	30		DFEAMP
C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000239636929	426713156	/nfs/dbraw/zinc/71/31/56/426713156.db2.gz	BHOFAVDJBLQHLA-CYBMUJFWSA-N	2	1	318.421	2.868	50	30		DFEAMP
C[C@H](NC(NCC[N@H+](C)C1CC1)=[NH+]C1CC1)c1cccs1	ZINC000075583400	398811297	/nfs/dbraw/zinc/81/12/97/398811297.db2.gz	JRGAQXQKPUPXNK-LBPRGKRZSA-N	2	1	306.479	2.601	50	30		DFEAMP
C[C@H](NC(NCC[N@@H+](C)C1CC1)=[NH+]C1CC1)c1cccs1	ZINC000075583400	398811299	/nfs/dbraw/zinc/81/12/99/398811299.db2.gz	JRGAQXQKPUPXNK-LBPRGKRZSA-N	2	1	306.479	2.601	50	30		DFEAMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1	ZINC000239636930	426712908	/nfs/dbraw/zinc/71/29/08/426712908.db2.gz	BHOFAVDJBLQHLA-ZDUSSCGKSA-N	2	1	318.421	2.868	50	30		DFEAMP
C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#CC(C)(C)O)cc1	ZINC000670433901	544039860	/nfs/dbraw/zinc/03/98/60/544039860.db2.gz	JCFRRBMFRBTNMU-UHFFFAOYSA-N	2	1	314.473	2.727	50	30		DFEAMP
C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#CC(C)(C)O)cc1	ZINC000670433901	544039861	/nfs/dbraw/zinc/03/98/61/544039861.db2.gz	JCFRRBMFRBTNMU-UHFFFAOYSA-N	2	1	314.473	2.727	50	30		DFEAMP
C=C(C)CC[C@@H](C)[N@@H+]1CCC(=O)N(CC[NH+]2CCCCC2)CC1	ZINC000011965450	425716874	/nfs/dbraw/zinc/71/68/74/425716874.db2.gz	HWUWPRFVYJPSSW-GOSISDBHSA-N	2	1	321.509	2.751	50	30		DFEAMP
C=C(C)C[NH+]1CCC([NH2+]C2CCC(C(=O)OCC)CC2)CC1	ZINC000095988261	426383579	/nfs/dbraw/zinc/38/35/79/426383579.db2.gz	JTUNRMONHCLYMU-UHFFFAOYSA-N	2	1	308.466	2.738	50	30		DFEAMP
C=CCNC(NCc1cccs1)=[NH+]C[C@H]1CC[N@H+](C(C)C)C1	ZINC000069617306	518822119	/nfs/dbraw/zinc/82/21/19/518822119.db2.gz	IFCJACCNCSCPSW-OAHLLOKOSA-N	2	1	320.506	2.700	50	30		DFEAMP
N#Cc1cccc(-n2cccc2C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1	ZINC000071754378	191025105	/nfs/dbraw/zinc/02/51/05/191025105.db2.gz	RXDALJMTFGJOLL-INIZCTEOSA-N	2	1	308.429	2.910	50	30		DFEAMP
COc1ccc(/C=[NH+]/CC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000006576981	181356084	/nfs/dbraw/zinc/35/60/84/181356084.db2.gz	WOAIYBQMKKZABM-GJWLXIKTSA-N	2	1	304.434	2.595	50	30		DFEAMP
[NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCCC1	ZINC000075127931	398788151	/nfs/dbraw/zinc/78/81/51/398788151.db2.gz	BOIGEZKTHNADOO-OAHLLOKOSA-N	2	1	320.506	2.761	50	30		DFEAMP
Cc1c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(C#N)n1C	ZINC000023654256	182365530	/nfs/dbraw/zinc/36/55/30/182365530.db2.gz	CLOPZJPZPWNFJG-UHFFFAOYSA-N	2	1	322.456	2.959	50	30		DFEAMP
[NH2+]=C(NCc1ccco1)NC[C@@H](c1ccco1)[NH+]1CCCCC1	ZINC000058162924	526805410	/nfs/dbraw/zinc/80/54/10/526805410.db2.gz	QWOJXHPGYZXSAK-HNNXBMFYSA-N	2	1	316.405	2.504	50	30		DFEAMP
C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000067895790	425914578	/nfs/dbraw/zinc/91/45/78/425914578.db2.gz	FIIPDOGKTKJKSD-INIZCTEOSA-N	2	1	321.509	2.511	50	30		DFEAMP
C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000067895790	425914579	/nfs/dbraw/zinc/91/45/79/425914579.db2.gz	FIIPDOGKTKJKSD-INIZCTEOSA-N	2	1	321.509	2.511	50	30		DFEAMP
N#Cc1cccc(-n2cccc2C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1	ZINC000071754377	191025301	/nfs/dbraw/zinc/02/53/01/191025301.db2.gz	RXDALJMTFGJOLL-MRXNPFEDSA-N	2	1	308.429	2.910	50	30		DFEAMP
CCn1cc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cc1C#N	ZINC000072151169	191056241	/nfs/dbraw/zinc/05/62/41/191056241.db2.gz	UBNZOSOAGMHMGD-UHFFFAOYSA-N	2	1	323.444	2.795	50	30		DFEAMP
COc1ccc(/C=[NH+]/CC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004785938	181152649	/nfs/dbraw/zinc/15/26/49/181152649.db2.gz	WOAIYBQMKKZABM-KRBBHZSCSA-N	2	1	304.434	2.595	50	30		DFEAMP
N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1	ZINC000053132876	425886819	/nfs/dbraw/zinc/88/68/19/425886819.db2.gz	XPAXRMQDQMPJFX-UHFFFAOYSA-N	2	1	321.424	2.680	50	30		DFEAMP
C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(Cc2[nH]cc[nH+]2)CC1	ZINC000328592322	257265240	/nfs/dbraw/zinc/26/52/40/257265240.db2.gz	BHSYOKGCIAKUCF-CYBMUJFWSA-N	2	1	304.438	2.952	50	30		DFEAMP
C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)N2CCCCCC2)CC1	ZINC000095422057	426371987	/nfs/dbraw/zinc/37/19/87/426371987.db2.gz	YFMJGBWYDPPDLL-QGZVFWFLSA-N	2	1	321.509	2.798	50	30		DFEAMP
Cc1c(C[NH+](C)C[C@H]2CC[N@@H+](CC(C)C)C2)cc(C#N)n1C	ZINC000670440834	544040828	/nfs/dbraw/zinc/04/08/28/544040828.db2.gz	USIHMTOHPNLPAW-MRXNPFEDSA-N	2	1	302.466	2.615	50	30		DFEAMP
Cc1c(C[NH+](C)C[C@H]2CC[N@H+](CC(C)C)C2)cc(C#N)n1C	ZINC000670440834	544040831	/nfs/dbraw/zinc/04/08/31/544040831.db2.gz	USIHMTOHPNLPAW-MRXNPFEDSA-N	2	1	302.466	2.615	50	30		DFEAMP
Cc1c(C[N@@H+](C)C[C@H]2CC[NH+](CC(C)C)C2)cc(C#N)n1C	ZINC000670440834	544040834	/nfs/dbraw/zinc/04/08/34/544040834.db2.gz	USIHMTOHPNLPAW-MRXNPFEDSA-N	2	1	302.466	2.615	50	30		DFEAMP
Cc1c(C[N@H+](C)C[C@H]2CC[NH+](CC(C)C)C2)cc(C#N)n1C	ZINC000670440834	544040838	/nfs/dbraw/zinc/04/08/38/544040838.db2.gz	USIHMTOHPNLPAW-MRXNPFEDSA-N	2	1	302.466	2.615	50	30		DFEAMP
CN(C)C(=[NH2+])NCc1ccccc1C[N@@H+](C)C1CCCCC1	ZINC000170909932	337383403	/nfs/dbraw/zinc/38/34/03/337383403.db2.gz	XLMYVJZJTBLGMR-UHFFFAOYSA-N	2	1	302.466	2.827	50	30		DFEAMP
CC[NH+](CC)CC#C[C@@H](CN1CCCCC1)[NH+]1CCCCC1	ZINC000022015500	398415975	/nfs/dbraw/zinc/41/59/75/398415975.db2.gz	LQQADROPWMVHTJ-IBGZPJMESA-N	2	1	305.510	2.672	50	30		DFEAMP
N#Cc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1	ZINC000048355054	425874905	/nfs/dbraw/zinc/87/49/05/425874905.db2.gz	VLFGQMQZPNGWTQ-UHFFFAOYSA-N	2	1	321.424	2.680	50	30		DFEAMP
COc1ccc(/C=[NH+]/CC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004785939	181152790	/nfs/dbraw/zinc/15/27/90/181152790.db2.gz	WOAIYBQMKKZABM-UJYSXWEXSA-N	2	1	304.434	2.595	50	30		DFEAMP
N#Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1	ZINC000053131529	425886943	/nfs/dbraw/zinc/88/69/43/425886943.db2.gz	OGQZQMRXDSJQEK-UHFFFAOYSA-N	2	1	321.424	2.680	50	30		DFEAMP
CC(C)[NH+]1CCC([C@H](C#CCO)[N@@H+](C)C2CCCCC2)CC1	ZINC000096152030	426401700	/nfs/dbraw/zinc/40/17/00/426401700.db2.gz	KYSIDLHAGYCNSK-IBGZPJMESA-N	2	1	306.494	2.736	50	30		DFEAMP
CC(C)[NH+]1CCC([C@@H](C#CCO)[N@@H+](C)C2CCCCC2)CC1	ZINC000096152029	426402522	/nfs/dbraw/zinc/40/25/22/426402522.db2.gz	KYSIDLHAGYCNSK-LJQANCHMSA-N	2	1	306.494	2.736	50	30		DFEAMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)N2CCCCCC2)CC1	ZINC000095422056	426371993	/nfs/dbraw/zinc/37/19/93/426371993.db2.gz	YFMJGBWYDPPDLL-KRWDZBQOSA-N	2	1	321.509	2.798	50	30		DFEAMP
CCCCCCC[NH2+]Cc1cccn1CC[NH+]1CCOCC1	ZINC000098045238	426476923	/nfs/dbraw/zinc/47/69/23/426476923.db2.gz	FPDGRWYBAUOSER-UHFFFAOYSA-N	2	1	307.482	2.880	50	30		DFEAMP
CNC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1)=[NH+]C	ZINC000252510413	427185544	/nfs/dbraw/zinc/18/55/44/427185544.db2.gz	ZJQXEZPWVXGFFM-ZFWWWQNUSA-N	2	1	308.857	2.518	50	30		DFEAMP
C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccccc2Cl)C[C@H](C)O1	ZINC000072272418	426011944	/nfs/dbraw/zinc/01/19/44/426011944.db2.gz	CKMJIAPWUHZHLN-BETUJISGSA-N	2	1	324.856	2.566	50	30		DFEAMP
CC[NH+](CC)CC#C[C@H](CN1CCCCC1)[NH+]1CCCCC1	ZINC000022015504	398415481	/nfs/dbraw/zinc/41/54/81/398415481.db2.gz	LQQADROPWMVHTJ-LJQANCHMSA-N	2	1	305.510	2.672	50	30		DFEAMP
C=CCNC(NCc1cccs1)=[NH+]C[C@@H]1CC[N@H+](C(C)C)C1	ZINC000069617310	518823011	/nfs/dbraw/zinc/82/30/11/518823011.db2.gz	IFCJACCNCSCPSW-HNNXBMFYSA-N	2	1	320.506	2.700	50	30		DFEAMP
[NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccc1	ZINC000058411506	526805372	/nfs/dbraw/zinc/80/53/72/526805372.db2.gz	KYBHLOCEZHPNIJ-GOSISDBHSA-N	2	1	322.456	2.978	50	30		DFEAMP
CC[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)c(C)[nH]3)C2)CC1	ZINC000584892593	398428478	/nfs/dbraw/zinc/42/84/78/398428478.db2.gz	HWVUGRFWJKBVPK-UHFFFAOYSA-N	2	1	300.450	2.893	50	30		DFEAMP
CC[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C1CC1	ZINC000328637986	257263315	/nfs/dbraw/zinc/26/33/15/257263315.db2.gz	WFHSFJPIJBSIPR-YJBOKZPZSA-N	2	1	316.449	2.515	50	30		DFEAMP
C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(Cc2[nH]cc[nH+]2)CC1	ZINC000328592323	257265352	/nfs/dbraw/zinc/26/53/52/257265352.db2.gz	BHSYOKGCIAKUCF-ZDUSSCGKSA-N	2	1	304.438	2.952	50	30		DFEAMP
Cc1c(C[NH+](C)C[C@@H]2CC[N@@H+](CC(C)C)C2)cc(C#N)n1C	ZINC000670440833	544041175	/nfs/dbraw/zinc/04/11/75/544041175.db2.gz	USIHMTOHPNLPAW-INIZCTEOSA-N	2	1	302.466	2.615	50	30		DFEAMP
Cc1c(C[NH+](C)C[C@@H]2CC[N@H+](CC(C)C)C2)cc(C#N)n1C	ZINC000670440833	544041178	/nfs/dbraw/zinc/04/11/78/544041178.db2.gz	USIHMTOHPNLPAW-INIZCTEOSA-N	2	1	302.466	2.615	50	30		DFEAMP
Cc1c(C[N@@H+](C)C[C@@H]2CC[NH+](CC(C)C)C2)cc(C#N)n1C	ZINC000670440833	544041181	/nfs/dbraw/zinc/04/11/81/544041181.db2.gz	USIHMTOHPNLPAW-INIZCTEOSA-N	2	1	302.466	2.615	50	30		DFEAMP
Cc1c(C[N@H+](C)C[C@@H]2CC[NH+](CC(C)C)C2)cc(C#N)n1C	ZINC000670440833	544041183	/nfs/dbraw/zinc/04/11/83/544041183.db2.gz	USIHMTOHPNLPAW-INIZCTEOSA-N	2	1	302.466	2.615	50	30		DFEAMP
C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000067895792	425914744	/nfs/dbraw/zinc/91/47/44/425914744.db2.gz	FIIPDOGKTKJKSD-MRXNPFEDSA-N	2	1	321.509	2.511	50	30		DFEAMP
C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000067895792	425914745	/nfs/dbraw/zinc/91/47/45/425914745.db2.gz	FIIPDOGKTKJKSD-MRXNPFEDSA-N	2	1	321.509	2.511	50	30		DFEAMP
C=C(C)CC[C@H](C)[N@@H+]1CCC(=O)N(CC[NH+]2CCCCC2)CC1	ZINC000011965449	425716468	/nfs/dbraw/zinc/71/64/68/425716468.db2.gz	HWUWPRFVYJPSSW-SFHVURJKSA-N	2	1	321.509	2.751	50	30		DFEAMP
[NH2+]=C(NCc1ccco1)NC[C@H](c1ccco1)[NH+]1CCCCC1	ZINC000058162925	526805539	/nfs/dbraw/zinc/80/55/39/526805539.db2.gz	QWOJXHPGYZXSAK-OAHLLOKOSA-N	2	1	316.405	2.504	50	30		DFEAMP