smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(NCCC[NH3+])c2ccc(Cl)c(Cl)c2[nH+]1	ZINC000222689079	230398353	/nfs/dbraw/zinc/39/83/53/230398353.db2.gz	FCQNBMHAQDPSNA-UHFFFAOYSA-N	2	2	284.190	3.611	40	0		CHABLP
c1cn(-c2cccc([C@H]3CCC[N@@H+]3C3CCCCC3)n2)c[nH+]1	ZINC000072378719	176385504	/nfs/dbraw/zinc/38/55/04/176385504.db2.gz	YAYSPXXMOLNEMO-QGZVFWFLSA-N	2	2	296.418	3.737	40	0		CHABLP
c1cn(-c2cccc([C@H]3CCC[N@H+]3C3CCCCC3)n2)c[nH+]1	ZINC000072378719	176385505	/nfs/dbraw/zinc/38/55/05/176385505.db2.gz	YAYSPXXMOLNEMO-QGZVFWFLSA-N	2	2	296.418	3.737	40	0		CHABLP
Cc1ccc(C[N@H+](CCC[NH+](C)C)Cc2ccco2)s1	ZINC000013992850	567912401	/nfs/dbraw/zinc/91/24/01/567912401.db2.gz	ALOCJEVBLSUHQD-UHFFFAOYSA-N	2	2	292.448	3.603	40	0		CHABLP
Cc1ccc(C[N@@H+](CCC[NH+](C)C)Cc2ccco2)s1	ZINC000013992850	567912403	/nfs/dbraw/zinc/91/24/03/567912403.db2.gz	ALOCJEVBLSUHQD-UHFFFAOYSA-N	2	2	292.448	3.603	40	0		CHABLP
CC[NH+](CC)CCCNc1[nH+]c2ccccc2n1C(C)C	ZINC000006869478	170251451	/nfs/dbraw/zinc/25/14/51/170251451.db2.gz	YBLCPDSCJQAGIL-UHFFFAOYSA-N	2	2	288.439	3.761	40	0		CHABLP
COc1ccc2ccccc2c1[C@H](C[NH3+])[NH+]1CCC(C)CC1	ZINC000032073465	567045093	/nfs/dbraw/zinc/04/50/93/567045093.db2.gz	RCMQLXXIWTVYLE-KRWDZBQOSA-N	2	2	298.430	3.580	40	0		CHABLP
c1csc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1	ZINC000096049292	185073651	/nfs/dbraw/zinc/07/36/51/185073651.db2.gz	IRVINRIJFMIJPD-UHFFFAOYSA-N	2	2	290.476	3.589	40	0		CHABLP
c1csc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1	ZINC000096049292	185073652	/nfs/dbraw/zinc/07/36/52/185073652.db2.gz	IRVINRIJFMIJPD-UHFFFAOYSA-N	2	2	290.476	3.589	40	0		CHABLP
Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc2[nH+]ccn21	ZINC000257319029	190033713	/nfs/dbraw/zinc/03/37/13/190033713.db2.gz	VQJVMXJZACXGAF-MRXNPFEDSA-N	2	2	295.361	3.811	40	0		CHABLP
Fc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc2[nH+]ccn21	ZINC000257319029	190033714	/nfs/dbraw/zinc/03/37/14/190033714.db2.gz	VQJVMXJZACXGAF-MRXNPFEDSA-N	2	2	295.361	3.811	40	0		CHABLP
Clc1cccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1	ZINC000062718660	567109446	/nfs/dbraw/zinc/10/94/46/567109446.db2.gz	GQHVEMQIKKLNJC-UHFFFAOYSA-N	2	2	299.805	3.939	40	0		CHABLP
Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)[nH+]1	ZINC000257303459	190030240	/nfs/dbraw/zinc/03/02/40/190030240.db2.gz	SHIKPNBTUMSCHW-CQSZACIVSA-N	2	2	294.402	3.579	40	0		CHABLP
Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)[nH+]1	ZINC000257303459	190030241	/nfs/dbraw/zinc/03/02/41/190030241.db2.gz	SHIKPNBTUMSCHW-CQSZACIVSA-N	2	2	294.402	3.579	40	0		CHABLP
c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2)cc1	ZINC000066066509	329111807	/nfs/dbraw/zinc/11/18/07/329111807.db2.gz	SJBYIGXWWGSEES-BGYRXZFFSA-N	2	2	294.442	3.877	40	0		CHABLP
C[C@@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1	ZINC000062718675	567109139	/nfs/dbraw/zinc/10/91/39/567109139.db2.gz	QZZUCSHMYZKKSU-HNNXBMFYSA-N	2	2	293.414	3.889	40	0		CHABLP
c1c2ccccc2oc1C[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000019376281	567878010	/nfs/dbraw/zinc/87/80/10/567878010.db2.gz	IKLFTNWGNDABMO-UHFFFAOYSA-N	2	2	298.430	3.883	40	0		CHABLP
COc1ccc2ccccc2c1[C@@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1	ZINC000108349928	1120154228	/nfs/dbraw/zinc/15/42/28/1120154228.db2.gz	IYHLFVKGPZPWHN-WMLDXEAASA-N	2	2	298.430	3.580	40	0		CHABLP
COc1ccc2ccccc2c1[C@@H](C[NH3+])[N@H+]1CCC[C@H](C)C1	ZINC000108349928	1120154233	/nfs/dbraw/zinc/15/42/33/1120154233.db2.gz	IYHLFVKGPZPWHN-WMLDXEAASA-N	2	2	298.430	3.580	40	0		CHABLP
c1cn(-c2cccc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)c[nH+]1	ZINC000072378718	176386065	/nfs/dbraw/zinc/38/60/65/176386065.db2.gz	YAYSPXXMOLNEMO-KRWDZBQOSA-N	2	2	296.418	3.737	40	0		CHABLP
c1cn(-c2cccc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)c[nH+]1	ZINC000072378718	176386066	/nfs/dbraw/zinc/38/60/66/176386066.db2.gz	YAYSPXXMOLNEMO-KRWDZBQOSA-N	2	2	296.418	3.737	40	0		CHABLP
c1ccc(C[NH2+][C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2)cc1	ZINC000038274347	174138251	/nfs/dbraw/zinc/13/82/51/174138251.db2.gz	SJBYIGXWWGSEES-PMACEKPBSA-N	2	2	294.442	3.877	40	0		CHABLP
CCc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1	ZINC000062718651	567109498	/nfs/dbraw/zinc/10/94/98/567109498.db2.gz	VTDCBGNNAZOLSR-UHFFFAOYSA-N	2	2	293.414	3.848	40	0		CHABLP
C[C@@H]([NH2+]CC[NH2+][C@@H](C)c1ccccc1)c1ccccc1	ZINC000023476859	567882109	/nfs/dbraw/zinc/88/21/09/567882109.db2.gz	LVJYSFUNASCGCN-IYBDPMFKSA-N	2	2	268.404	3.688	40	0		CHABLP
C[NH2+]CCCNc1cc[nH+]c2c(Cl)c(Cl)ccc12	ZINC000222680426	567949014	/nfs/dbraw/zinc/94/90/14/567949014.db2.gz	YLSPIKOQQCONJQ-UHFFFAOYSA-N	2	2	284.190	3.563	40	0		CHABLP
c1cn2c(cccc2[C@H]2CCC[N@H+]2Cc2ccsc2)[nH+]1	ZINC000257215963	190013486	/nfs/dbraw/zinc/01/34/86/190013486.db2.gz	CSLJTBNOEUKIDP-CQSZACIVSA-N	2	2	283.400	3.733	40	0		CHABLP
c1cn2c(cccc2[C@H]2CCC[N@@H+]2Cc2ccsc2)[nH+]1	ZINC000257215963	190013487	/nfs/dbraw/zinc/01/34/87/190013487.db2.gz	CSLJTBNOEUKIDP-CQSZACIVSA-N	2	2	283.400	3.733	40	0		CHABLP
C[C@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1	ZINC000062718678	567109435	/nfs/dbraw/zinc/10/94/35/567109435.db2.gz	QZZUCSHMYZKKSU-OAHLLOKOSA-N	2	2	293.414	3.889	40	0		CHABLP
CCCCCC[C@@H](C[NH+]1CCCC1)[NH+]1CCCC1	ZINC000043752071	567906472	/nfs/dbraw/zinc/90/64/72/567906472.db2.gz	BPPURDXHUMCGDJ-INIZCTEOSA-N	2	2	252.446	3.517	40	0		CHABLP
C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]2[NH2+]CCCCC[C@H]21	ZINC000019712163	567123790	/nfs/dbraw/zinc/12/37/90/567123790.db2.gz	XTMHTUFIEHTWHS-VPFHTWTBSA-N	2	2	284.447	3.696	40	0		CHABLP
C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]2[NH2+]CCCCC[C@H]21	ZINC000019712163	567123792	/nfs/dbraw/zinc/12/37/92/567123792.db2.gz	XTMHTUFIEHTWHS-VPFHTWTBSA-N	2	2	284.447	3.696	40	0		CHABLP
c1cn2c(cccc2[C@@H]2CCC[N@H+]2Cc2ccsc2)[nH+]1	ZINC000257215962	190013398	/nfs/dbraw/zinc/01/33/98/190013398.db2.gz	CSLJTBNOEUKIDP-AWEZNQCLSA-N	2	2	283.400	3.733	40	0		CHABLP
c1cn2c(cccc2[C@@H]2CCC[N@@H+]2Cc2ccsc2)[nH+]1	ZINC000257215962	190013399	/nfs/dbraw/zinc/01/33/99/190013399.db2.gz	CSLJTBNOEUKIDP-AWEZNQCLSA-N	2	2	283.400	3.733	40	0		CHABLP
C(=C\c1ccccc1)\C[NH2+]CC[NH2+]C/C=C\c1ccccc1	ZINC000022580492	171392743	/nfs/dbraw/zinc/39/27/43/171392743.db2.gz	OCPXRFLUCJRFJO-PVRNWPCDSA-N	2	2	292.426	3.592	40	0		CHABLP
c1ccc2c(c1)[nH+]c(C1CCCC1)n2C[C@H]1CCC[NH2+]C1	ZINC000096510518	567898074	/nfs/dbraw/zinc/89/80/74/567898074.db2.gz	JWFPIALVSZDWTA-AWEZNQCLSA-N	2	2	283.419	3.694	40	0		CHABLP
c1ccc(Nc2cc(CC[C@@H]3CCC[NH2+]C3)cc[nH+]2)cc1	ZINC000257237506	190018108	/nfs/dbraw/zinc/01/81/08/190018108.db2.gz	HGVARBIECUUMPY-INIZCTEOSA-N	2	2	281.403	3.757	40	0		CHABLP
Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2C2CCCC2)n1	ZINC000257235473	190016917	/nfs/dbraw/zinc/01/69/17/190016917.db2.gz	GXZUALRXYWUIBX-KRWDZBQOSA-N	2	2	296.418	3.655	40	0		CHABLP
Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2C2CCCC2)n1	ZINC000257235473	190016918	/nfs/dbraw/zinc/01/69/18/190016918.db2.gz	GXZUALRXYWUIBX-KRWDZBQOSA-N	2	2	296.418	3.655	40	0		CHABLP
Cc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1	ZINC000062718634	567109384	/nfs/dbraw/zinc/10/93/84/567109384.db2.gz	DYRRWRHPIBOAAD-UHFFFAOYSA-N	2	2	279.387	3.594	40	0		CHABLP
CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccco2)CC1	ZINC000004703474	170001731	/nfs/dbraw/zinc/00/17/31/170001731.db2.gz	UBKSCQYMVRCTBQ-UHFFFAOYSA-N	2	2	298.430	3.766	40	0		CHABLP
CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccco2)CC1	ZINC000004703474	170001733	/nfs/dbraw/zinc/00/17/33/170001733.db2.gz	UBKSCQYMVRCTBQ-UHFFFAOYSA-N	2	2	298.430	3.766	40	0		CHABLP
CCCn1c2ccc(Cl)cc2[nH+]c1CCCCC[NH3+]	ZINC000037440495	173210454	/nfs/dbraw/zinc/21/04/54/173210454.db2.gz	IOMBAWQPFWGPEF-UHFFFAOYSA-N	2	2	279.815	3.771	40	0		CHABLP
COc1ccc2ccccc2c1[C@@H](C[NH3+])[NH+]1CCC(C)CC1	ZINC000032073463	567044115	/nfs/dbraw/zinc/04/41/15/567044115.db2.gz	RCMQLXXIWTVYLE-QGZVFWFLSA-N	2	2	298.430	3.580	40	0		CHABLP
COc1ccc2ccccc2c1[C@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1	ZINC000036101584	1118452769	/nfs/dbraw/zinc/45/27/69/1118452769.db2.gz	IYHLFVKGPZPWHN-YOEHRIQHSA-N	2	2	298.430	3.580	40	0		CHABLP
COc1ccc2ccccc2c1[C@H](C[NH3+])[N@H+]1CCC[C@H](C)C1	ZINC000036101584	1118452771	/nfs/dbraw/zinc/45/27/71/1118452771.db2.gz	IYHLFVKGPZPWHN-YOEHRIQHSA-N	2	2	298.430	3.580	40	0		CHABLP
Cc1c[nH]c([C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)[nH+]1	ZINC000257303458	190030743	/nfs/dbraw/zinc/03/07/43/190030743.db2.gz	SHIKPNBTUMSCHW-AWEZNQCLSA-N	2	2	294.402	3.579	40	0		CHABLP
Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)[nH+]1	ZINC000257303458	190030744	/nfs/dbraw/zinc/03/07/44/190030744.db2.gz	SHIKPNBTUMSCHW-AWEZNQCLSA-N	2	2	294.402	3.579	40	0		CHABLP
c1ccc2[nH+]c(CCC[NH2+]CC3CCCCC3)[nH]c2c1	ZINC000062718679	175673515	/nfs/dbraw/zinc/67/35/15/175673515.db2.gz	KAJHBVDVAUOQLJ-UHFFFAOYSA-N	2	2	271.408	3.665	40	0		CHABLP
CCCCCC[C@H](C[NH+]1CCCC1)[NH+]1CCCC1	ZINC000043752073	567906630	/nfs/dbraw/zinc/90/66/30/567906630.db2.gz	BPPURDXHUMCGDJ-MRXNPFEDSA-N	2	2	252.446	3.517	40	0		CHABLP
Cc1ccc(C[NH+](Cc2ccc(C)cc2)[C@@H]2CC[NH2+]C2)cc1	ZINC000072203996	176342116	/nfs/dbraw/zinc/34/21/16/176342116.db2.gz	VNIRNKLAJDGGAL-HXUWFJFHSA-N	2	2	294.442	3.668	40	0		CHABLP
C[NH2+]CCCNc1cc(C)[nH+]c2c(Cl)c(Cl)ccc12	ZINC000222689160	529971728	/nfs/dbraw/zinc/97/17/28/529971728.db2.gz	AWOPBARMTMXJBJ-UHFFFAOYSA-N	2	2	298.217	3.871	40	0		CHABLP
C(=C/c1ccccc1)\C[NH2+]CCCc1[nH]c2ccccc2[nH+]1	ZINC000062718648	567109256	/nfs/dbraw/zinc/10/92/56/567109256.db2.gz	LJOINUDAHRLTJJ-UXBLZVDNSA-N	2	2	291.398	3.799	40	0		CHABLP
C(=C/c1ccccc1)\C[NH2+]CC[NH2+]C/C=C\c1ccccc1	ZINC000022795564	171399454	/nfs/dbraw/zinc/39/94/54/171399454.db2.gz	OCPXRFLUCJRFJO-MFUUIURDSA-N	2	2	292.426	3.592	40	0		CHABLP
COc1ccc2ccccc2c1[C@H](C[NH3+])[N@@H+]1CCC[C@@H](C)C1	ZINC000032073455	567043505	/nfs/dbraw/zinc/04/35/05/567043505.db2.gz	IYHLFVKGPZPWHN-PBHICJAKSA-N	2	2	298.430	3.580	40	0		CHABLP
COc1ccc2ccccc2c1[C@H](C[NH3+])[N@H+]1CCC[C@@H](C)C1	ZINC000032073455	567043512	/nfs/dbraw/zinc/04/35/12/567043512.db2.gz	IYHLFVKGPZPWHN-PBHICJAKSA-N	2	2	298.430	3.580	40	0		CHABLP
Cc1ccccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1	ZINC000062718666	567109371	/nfs/dbraw/zinc/10/93/71/567109371.db2.gz	CBMBDIIMWVWYMX-UHFFFAOYSA-N	2	2	279.387	3.594	40	0		CHABLP
CC[C@H](C)n1c2ccccc2[nH+]c1CCCCC[NH3+]	ZINC000040163852	174197060	/nfs/dbraw/zinc/19/70/60/174197060.db2.gz	OJZMURRQUJAIHH-ZDUSSCGKSA-N	2	2	259.397	3.679	40	0		CHABLP
COc1ccc2ccccc2c1[C@@H](C[NH3+])[N@@H+]1CCC[C@@H](C)C1	ZINC000032073453	567044941	/nfs/dbraw/zinc/04/49/41/567044941.db2.gz	IYHLFVKGPZPWHN-RHSMWYFYSA-N	2	2	298.430	3.580	40	0		CHABLP
COc1ccc2ccccc2c1[C@@H](C[NH3+])[N@H+]1CCC[C@@H](C)C1	ZINC000032073453	567044947	/nfs/dbraw/zinc/04/49/47/567044947.db2.gz	IYHLFVKGPZPWHN-RHSMWYFYSA-N	2	2	298.430	3.580	40	0		CHABLP
C(=C/c1ccccc1)\C[NH2+]CC[NH2+]C/C=C/c1ccccc1	ZINC000019365692	567877544	/nfs/dbraw/zinc/87/75/44/567877544.db2.gz	OCPXRFLUCJRFJO-FNCQTZNRSA-N	2	2	292.426	3.592	40	0		CHABLP
Cc1ccsc1C[N@H+](CCC[NH+](C)C)Cc1ccco1	ZINC000013992849	567912349	/nfs/dbraw/zinc/91/23/49/567912349.db2.gz	NFYWVWNAAKDJRC-UHFFFAOYSA-N	2	2	292.448	3.603	40	0		CHABLP
Cc1ccsc1C[N@@H+](CCC[NH+](C)C)Cc1ccco1	ZINC000013992849	567912351	/nfs/dbraw/zinc/91/23/51/567912351.db2.gz	NFYWVWNAAKDJRC-UHFFFAOYSA-N	2	2	292.448	3.603	40	0		CHABLP
C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000008373879	170333369	/nfs/dbraw/zinc/33/33/69/170333369.db2.gz	BDQWQDXDLYECDA-UHFFFAOYSA-N	2	2	292.810	3.641	40	0		CHABLP
C[NH+](C)CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1	ZINC000008373882	170333465	/nfs/dbraw/zinc/33/34/65/170333465.db2.gz	JGHLYTCFFWEFIZ-UHFFFAOYSA-N	2	2	292.810	3.641	40	0		CHABLP
c1ccc2c(c1)[nH+]c(C1CCCC1)n2C[C@@H]1CCC[NH2+]C1	ZINC000096510517	567897846	/nfs/dbraw/zinc/89/78/46/567897846.db2.gz	JWFPIALVSZDWTA-CQSZACIVSA-N	2	2	283.419	3.694	40	0		CHABLP
C[NH+](CC[N@@H+](C)C1CCCCC1)C1CCCCC1	ZINC000066189055	570245072	/nfs/dbraw/zinc/24/50/72/570245072.db2.gz	WRPQIQFDQDMHMU-UHFFFAOYSA-N	2	2	252.446	3.515	40	0		CHABLP
C[NH+](CC[N@H+](C)C1CCCCC1)C1CCCCC1	ZINC000066189055	570245074	/nfs/dbraw/zinc/24/50/74/570245074.db2.gz	WRPQIQFDQDMHMU-UHFFFAOYSA-N	2	2	252.446	3.515	40	0		CHABLP
c1cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cs1	ZINC000096049294	185073375	/nfs/dbraw/zinc/07/33/75/185073375.db2.gz	UQKVOKVVVSHLBA-UHFFFAOYSA-N	2	2	290.476	3.589	40	0		CHABLP
c1cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cs1	ZINC000096049294	185073376	/nfs/dbraw/zinc/07/33/76/185073376.db2.gz	UQKVOKVVVSHLBA-UHFFFAOYSA-N	2	2	290.476	3.589	40	0		CHABLP
Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2C2CCCC2)n1	ZINC000257235474	190017072	/nfs/dbraw/zinc/01/70/72/190017072.db2.gz	GXZUALRXYWUIBX-QGZVFWFLSA-N	2	2	296.418	3.655	40	0		CHABLP
Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2C2CCCC2)n1	ZINC000257235474	190017073	/nfs/dbraw/zinc/01/70/73/190017073.db2.gz	GXZUALRXYWUIBX-QGZVFWFLSA-N	2	2	296.418	3.655	40	0		CHABLP
Fc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc2[nH+]ccn21	ZINC000257319028	190033575	/nfs/dbraw/zinc/03/35/75/190033575.db2.gz	VQJVMXJZACXGAF-INIZCTEOSA-N	2	2	295.361	3.811	40	0		CHABLP
Fc1ccccc1C[N@H+]1CCC[C@H]1c1cccc2[nH+]ccn21	ZINC000257319028	190033576	/nfs/dbraw/zinc/03/35/76/190033576.db2.gz	VQJVMXJZACXGAF-INIZCTEOSA-N	2	2	295.361	3.811	40	0		CHABLP
[NH3+]CCCNc1cc[nH+]c2c(Oc3ccccc3)cccc12	ZINC000222684033	534615764	/nfs/dbraw/zinc/61/57/64/534615764.db2.gz	SEWYIDRRJWZQRM-UHFFFAOYSA-N	2	2	293.370	3.788	40	0		CHABLP
C[NH2+]CCCNc1cc[nH+]c2cc(Cl)cc(Cl)c12	ZINC000222680958	567949080	/nfs/dbraw/zinc/94/90/80/567949080.db2.gz	YCLRIRGJSXDKKL-UHFFFAOYSA-N	2	2	284.190	3.563	40	0		CHABLP
Cc1ccc(-c2nc(NCCCCCC[NH3+])cc(C)[nH+]2)cc1	ZINC000008731093	170351054	/nfs/dbraw/zinc/35/10/54/170351054.db2.gz	QWBDZPMZJBVTHJ-UHFFFAOYSA-N	2	2	298.434	3.691	40	0		CHABLP
CC[C@@H](C)n1c2ccccc2[nH+]c1CCCCC[NH3+]	ZINC000040163851	174197088	/nfs/dbraw/zinc/19/70/88/174197088.db2.gz	OJZMURRQUJAIHH-CYBMUJFWSA-N	2	2	259.397	3.679	40	0		CHABLP
Clc1ccccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1	ZINC000062718657	567109188	/nfs/dbraw/zinc/10/91/88/567109188.db2.gz	KRPNMMZDCPTDIM-UHFFFAOYSA-N	2	2	299.805	3.939	40	0		CHABLP
C[C@H]([NH2+]CC[NH2+][C@@H](C)c1ccccc1)c1ccccc1	ZINC000019366296	567877470	/nfs/dbraw/zinc/87/74/70/567877470.db2.gz	LVJYSFUNASCGCN-HOTGVXAUSA-N	2	2	268.404	3.688	40	0		CHABLP
Clc1ccc(-c2[nH+]ccn2C2CC[NH2+]CC2)cc1Cl	ZINC000082735857	178256853	/nfs/dbraw/zinc/25/68/53/178256853.db2.gz	GXKSONQXHYIVGQ-UHFFFAOYSA-N	2	2	296.201	3.781	40	0		CHABLP
C[NH2+]CCCNc1cc(C)[nH+]c2c(Cl)cc(Cl)cc12	ZINC000222689413	529971676	/nfs/dbraw/zinc/97/16/76/529971676.db2.gz	HHRKOLJFJPLOJA-UHFFFAOYSA-N	2	2	298.217	3.871	40	0		CHABLP
c1ccc(Nc2cc(CC[C@H]3CCC[NH2+]C3)cc[nH+]2)cc1	ZINC000257237507	190017837	/nfs/dbraw/zinc/01/78/37/190017837.db2.gz	HGVARBIECUUMPY-MRXNPFEDSA-N	2	2	281.403	3.757	40	0		CHABLP
Cc1ccc(C[NH+](Cc2ccc(C)cc2)[C@H]2CC[NH2+]C2)cc1	ZINC000072203997	176341944	/nfs/dbraw/zinc/34/19/44/176341944.db2.gz	VNIRNKLAJDGGAL-FQEVSTJZSA-N	2	2	294.442	3.668	40	0		CHABLP
CC1=C[C@@H](C[NH3+])[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccccc2[nH+]1	ZINC000072320805	176368626	/nfs/dbraw/zinc/36/86/26/176368626.db2.gz	CABHCRDFMNBKDD-JYJNAYRXSA-N	2	2	297.446	3.919	40	0	biogenic,in-vitro	CHABLP
Cc1[nH+]cc(CCCC[NH+](C)C)c2c3ccccc3[nH]c21	ZINC000096448080	230375279	/nfs/dbraw/zinc/37/52/79/230375279.db2.gz	JOALZRPQOJNAJB-UHFFFAOYSA-N	2	2	281.403	3.909	40	0		CHABLP
Cc1cc(NCCC[NH3+])c2cc(Cl)cc(Cl)c2[nH+]1	ZINC000222689325	230398216	/nfs/dbraw/zinc/39/82/16/230398216.db2.gz	AEPNWYRKFWFLIO-UHFFFAOYSA-N	2	2	284.190	3.611	40	0		CHABLP
Cc1cccc(-c2nc(NCCCCCC[NH3+])cc(C)[nH+]2)c1	ZINC000008731088	170351271	/nfs/dbraw/zinc/35/12/71/170351271.db2.gz	NEZNNACXCIDTFS-UHFFFAOYSA-N	2	2	298.434	3.691	40	0		CHABLP
C[C@@H]([NH2+]CC[NH2+][C@H](C)c1ccccc1)c1ccccc1	ZINC000019366298	567877477	/nfs/dbraw/zinc/87/74/77/567877477.db2.gz	LVJYSFUNASCGCN-HZPDHXFCSA-N	2	2	268.404	3.688	40	0		CHABLP