smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[NH2+]Cc1ccc(N(CC)CC)cc1	ZINC000006859291	170250721	/nfs/dbraw/zinc/25/07/21/170250721.db2.gz	QVYUNKRGDBROBF-UHFFFAOYSA-N	1	0	262.441	4.203	50	10		CICARO
CN(/C=C/C1=[N+](C)c2ccccc2C1(C)C)c1ccccc1	ZINC000003877506	567854322	/nfs/dbraw/zinc/85/43/22/567854322.db2.gz	LPXYGVAQIOTYKW-UHFFFAOYSA-N	1	0	291.418	4.343	50	10		CICARO
Cc1cc(O)c(C[N@@H+](CC(C)C)C2CC2)cc1C(C)C	ZINC000058723260	567896476	/nfs/dbraw/zinc/89/64/76/567896476.db2.gz	SSAIZBGFGATJFQ-UHFFFAOYSA-N	1	0	275.436	4.444	50	10		CICARO
C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067840180	567900702	/nfs/dbraw/zinc/90/07/02/567900702.db2.gz	MVLZGSHDLCVLSW-CQSZACIVSA-N	1	0	298.430	4.278	50	10		CICARO
CN(C)c1ccc(/C=C/C[N@H+](C)C2CCCCC2)cc1	ZINC000004980679	170048714	/nfs/dbraw/zinc/04/87/14/170048714.db2.gz	RNWASUBICSPZBN-BQYQJAHWSA-N	1	0	272.436	4.030	50	10		CICARO
c1ccc2c(c1)[nH+]c1ccccc1c2NCc1cccnc1	ZINC000004138997	567189445	/nfs/dbraw/zinc/18/94/45/567189445.db2.gz	OKCDWRDXSJCAHO-UHFFFAOYSA-N	1	0	285.350	4.395	50	10		CICARO
C[N+](C)(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1	ZINC000001592718	567839064	/nfs/dbraw/zinc/83/90/64/567839064.db2.gz	UVWCPIQCXZWCMU-SAPNQHFASA-N	1	0	262.376	4.451	50	10		CICARO
CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1	ZINC000023281645	567888284	/nfs/dbraw/zinc/88/82/84/567888284.db2.gz	KQTGCRPSNWIKNN-HSSUXASLSA-N	1	0	298.474	4.420	50	10		CICARO
C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067840178	567900415	/nfs/dbraw/zinc/90/04/15/567900415.db2.gz	MVLZGSHDLCVLSW-AWEZNQCLSA-N	1	0	298.430	4.278	50	10		CICARO
CC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21	ZINC000000947493	567936942	/nfs/dbraw/zinc/93/69/42/567936942.db2.gz	UCEHWYYWQMPXQZ-HNNXBMFYSA-N	1	0	269.388	4.310	50	10		CICARO
CC[C@@H]([NH2+][C@H](CC)c1ccccc1O)c1c(C)noc1C	ZINC000156952958	188289504	/nfs/dbraw/zinc/28/95/04/188289504.db2.gz	DAABVQHEXZBHOD-HUUCEWRRSA-N	1	0	288.391	4.189	50	10		CICARO
Cc1cc(C)c(O)c(C[N@@H+](Cc2ccccc2)C(C)C)c1	ZINC000089568877	566983979	/nfs/dbraw/zinc/98/39/79/566983979.db2.gz	GSAGBUFSQRMGEX-UHFFFAOYSA-N	1	0	283.415	4.420	50	10		CICARO
CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1	ZINC000584904321	567856195	/nfs/dbraw/zinc/85/61/95/567856195.db2.gz	KQTGCRPSNWIKNN-MLEHJKIGSA-N	1	0	298.474	4.420	50	10		CICARO
C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067650595	567899972	/nfs/dbraw/zinc/89/99/72/567899972.db2.gz	OOXIMPXLSBZPNQ-CQSZACIVSA-N	1	0	298.430	4.278	50	10		CICARO
CC[C@H]([NH2+][C@@H](CC)c1ccccc1O)c1c(C)noc1C	ZINC000156952506	188289630	/nfs/dbraw/zinc/28/96/30/188289630.db2.gz	DAABVQHEXZBHOD-GJZGRUSLSA-N	1	0	288.391	4.189	50	10		CICARO
Cc1cc(Nc2c3ccccc3[nH+]c3ccccc32)no1	ZINC000005798757	170141793	/nfs/dbraw/zinc/14/17/93/170141793.db2.gz	FJWHGCHJIKTKBS-UHFFFAOYSA-N	1	0	275.311	4.428	50	10		CICARO
C[C@]12CC3CC(C[NH2+]Cc4ccccc4O)(C1)C[C@@](C)(C3)C2	ZINC000004958110	326813516	/nfs/dbraw/zinc/81/35/16/326813516.db2.gz	UWQNAJVFOCSKBA-LGMBCPCJSA-N	1	0	299.458	4.478	50	10		CICARO
CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccn2)ccc1O	ZINC000012164155	567862296	/nfs/dbraw/zinc/86/22/96/567862296.db2.gz	FSYKIRIYZLTRTG-QGZVFWFLSA-N	1	0	296.414	4.219	50	10		CICARO
C[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccccc21	ZINC000000053509	567935610	/nfs/dbraw/zinc/93/56/10/567935610.db2.gz	OGPNOYCZRBAADM-UHFFFAOYSA-N	1	0	277.367	4.177	50	10		CICARO
CC[C@@H]([NH2+][C@@H](CC)c1c(C)noc1C)c1ccccc1O	ZINC000156952636	188289751	/nfs/dbraw/zinc/28/97/51/188289751.db2.gz	DAABVQHEXZBHOD-CABCVRRESA-N	1	0	288.391	4.189	50	10		CICARO
CCCCN1CCCc2cc(C[NH2+]C3CCCC3)ccc21	ZINC000032919258	134769798	/nfs/dbraw/zinc/76/97/98/134769798.db2.gz	GLPVSIJNHICFLN-UHFFFAOYSA-N	1	0	286.463	4.272	50	10		CICARO
Cc1cc(O)c(C[N@H+]2CC=C(c3ccccc3)CC2)cc1C	ZINC000007075909	170266791	/nfs/dbraw/zinc/26/67/91/170266791.db2.gz	SVPDDRCRYCYCLE-UHFFFAOYSA-N	1	0	293.410	4.298	50	10		CICARO
Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1)CCC2	ZINC000032888330	567870130	/nfs/dbraw/zinc/87/01/30/567870130.db2.gz	PXWACRVWQWYTPQ-LJQANCHMSA-N	1	0	293.410	4.218	50	10		CICARO
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2[NH3+]	ZINC000032628474	567886388	/nfs/dbraw/zinc/88/63/88/567886388.db2.gz	YAKXYZZJFPDUNF-AWEZNQCLSA-N	1	0	294.320	4.141	50	10		CICARO
CC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O	ZINC000000216286	567935633	/nfs/dbraw/zinc/93/56/33/567935633.db2.gz	CEMNIBXUIDFQSY-UHFFFAOYSA-N	1	0	275.779	4.068	50	10		CICARO
Oc1ccc2ccccc2c1C[N@@H+]1CCc2sccc2C1	ZINC000014309325	570366147	/nfs/dbraw/zinc/36/61/47/570366147.db2.gz	HHWGGPOGGMRTJL-UHFFFAOYSA-N	1	0	295.407	4.165	50	10		CICARO
Oc1ccccc1C[NH2+]CC12C[C@@H]3CC(C[C@@H](C3)C1)CC2	ZINC000004311254	326811022	/nfs/dbraw/zinc/81/10/22/326811022.db2.gz	RDUIUKQNFFCBDQ-VVVNUSAQSA-N	1	0	285.431	4.088	50	10		CICARO
C[C@@H]([NH2+]Cc1ccccc1O)c1ccc2c(c1)CCCC2	ZINC000037071138	567009501	/nfs/dbraw/zinc/00/95/01/567009501.db2.gz	UPEMUWUFMHITKD-CQSZACIVSA-N	1	0	281.399	4.122	50	10		CICARO
c1ccc2c(c1)[nH+]c1ccccc1c2N1CCCCC1	ZINC000019770843	567859835	/nfs/dbraw/zinc/85/98/35/567859835.db2.gz	CSFQDIUNXOYVAG-UHFFFAOYSA-N	1	0	262.356	4.378	50	10		CICARO
C[C@H]([NH2+]C1CCCCC1)c1cc(Cl)ccc1O	ZINC000012383662	567863028	/nfs/dbraw/zinc/86/30/28/567863028.db2.gz	ADPZROWFBBLIDB-JTQLQIEISA-N	1	0	253.773	4.029	50	10		CICARO
CCCCN1CCCc2cc(C[NH2+]Cc3ccco3)ccc21	ZINC000032919774	567886223	/nfs/dbraw/zinc/88/62/23/567886223.db2.gz	PLTHSBGPWPHUGC-UHFFFAOYSA-N	1	0	298.430	4.122	50	10		CICARO
CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1	ZINC000023281647	567888511	/nfs/dbraw/zinc/88/85/11/567888511.db2.gz	KQTGCRPSNWIKNN-BYSJCTLISA-N	1	0	298.474	4.420	50	10		CICARO
Cc1cc(O)c(C[N@H+](C)C(C2CC2)C2CC2)cc1C(C)C	ZINC000060374530	567896944	/nfs/dbraw/zinc/89/69/44/567896944.db2.gz	HLHWEKLNJIGBSO-UHFFFAOYSA-N	1	0	287.447	4.444	50	10		CICARO
CC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21	ZINC000000947494	567936927	/nfs/dbraw/zinc/93/69/27/567936927.db2.gz	UCEHWYYWQMPXQZ-OAHLLOKOSA-N	1	0	269.388	4.310	50	10		CICARO
CCN(CC)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000004980934	170048591	/nfs/dbraw/zinc/04/85/91/170048591.db2.gz	XJXOCSGEBHQWIF-UHFFFAOYSA-N	1	0	294.442	4.091	50	10		CICARO
C[N@H+](Cc1ccc(F)cc1)Cc1c(O)ccc2ccccc21	ZINC000006653187	170222442	/nfs/dbraw/zinc/22/24/42/170222442.db2.gz	VCVOALWXMTYVOZ-UHFFFAOYSA-N	1	0	295.357	4.317	50	10		CICARO
CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1	ZINC000006869708	170251355	/nfs/dbraw/zinc/25/13/55/170251355.db2.gz	GGGYOYARZQCLFS-INIZCTEOSA-N	1	0	282.431	4.384	50	10		CICARO
CC[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1	ZINC000000278997	567823576	/nfs/dbraw/zinc/82/35/76/567823576.db2.gz	CHMPGWXTGHICCV-OZSKJFCKSA-N	1	0	272.436	4.030	50	10		CICARO
C[NH2+]CCC=C1c2ccccc2[C@@H]2C[C@@H]2c2ccccc21	ZINC000002005382	567843975	/nfs/dbraw/zinc/84/39/75/567843975.db2.gz	MILRTYCRJIRPKY-BGYRXZFFSA-N	1	0	275.395	4.312	50	10	in-man	CICARO
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2[NH3+]	ZINC000032628476	567886309	/nfs/dbraw/zinc/88/63/09/567886309.db2.gz	YAKXYZZJFPDUNF-CQSZACIVSA-N	1	0	294.320	4.141	50	10		CICARO
C[NH+](C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	ZINC000000192458	567925137	/nfs/dbraw/zinc/92/51/37/567925137.db2.gz	HKFRBBJLBRGTLM-UHFFFAOYSA-N	1	0	263.425	4.049	50	10		CICARO
CC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)c1c(C)noc1C	ZINC000156952800	188289890	/nfs/dbraw/zinc/28/98/90/188289890.db2.gz	DAABVQHEXZBHOD-LSDHHAIUSA-N	1	0	288.391	4.189	50	10		CICARO
COc1ccc(/N=N/c2ccc([N+](C)(C)C)cc2)cc1	ZINC000096191705	256805141	/nfs/dbraw/zinc/80/51/41/256805141.db2.gz	YAEFWJIBLILRPY-ISLYRVAYSA-N	1	0	270.356	4.307	50	10		CICARO
CC(C)CC[n+]1ccccc1C=Cc1ccc(N(C)C)cc1	ZINC000004133086	566862567	/nfs/dbraw/zinc/86/25/67/566862567.db2.gz	ZHDVXQGSDBZJAD-UHFFFAOYSA-N	1	0	295.450	4.257	50	10		CICARO
CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccn2)ccc1O	ZINC000012164159	567862376	/nfs/dbraw/zinc/86/23/76/567862376.db2.gz	FSYKIRIYZLTRTG-KRWDZBQOSA-N	1	0	296.414	4.219	50	10		CICARO
C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1	ZINC000020095671	567880793	/nfs/dbraw/zinc/88/07/93/567880793.db2.gz	PIHGYVRGQHZVKF-JTQLQIEISA-N	1	0	279.742	4.036	50	10		CICARO
Cc1cc(C[NH3+])c(C)n1-c1ccc(Oc2ccccc2)cc1	ZINC000034936142	567888992	/nfs/dbraw/zinc/88/89/92/567888992.db2.gz	LHEVFOSHMXBGDS-UHFFFAOYSA-N	1	0	292.382	4.345	50	10		CICARO
Cc1cccc(C)c1N(O)[N+](=O)c1c(C)cccc1C	ZINC000012462888	570395230	/nfs/dbraw/zinc/39/52/30/570395230.db2.gz	MOIONWYNTORJQI-ISLYRVAYSA-N	1	0	270.332	4.356	50	10		CICARO
C[C@H]([NH2+]Cc1ccccc1O)c1ccc2c(c1)CCCC2	ZINC000037071137	567009710	/nfs/dbraw/zinc/00/97/10/567009710.db2.gz	UPEMUWUFMHITKD-AWEZNQCLSA-N	1	0	281.399	4.122	50	10		CICARO
C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1	ZINC000020095669	567880760	/nfs/dbraw/zinc/88/07/60/567880760.db2.gz	PIHGYVRGQHZVKF-SNVBAGLBSA-N	1	0	279.742	4.036	50	10		CICARO
[NH3+][C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21	ZINC000032098975	567885731	/nfs/dbraw/zinc/88/57/31/567885731.db2.gz	YWXXGZSOEGFPNC-QGZVFWFLSA-N	1	0	283.758	4.247	50	10		CICARO
C[C@H]([NH2+]Cc1ccccc1O)C12CC3CC(CC(C3)C1)C2	ZINC000004859700	170032351	/nfs/dbraw/zinc/03/23/51/170032351.db2.gz	DMDVDEHNWMBMDZ-IWUURBKTSA-N	1	0	285.431	4.087	50	10		CICARO
C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]Cc1ccccc1O	ZINC000005028158	170057598	/nfs/dbraw/zinc/05/75/98/170057598.db2.gz	TYTJEFRFKUJPEU-KMYSJOAASA-N	1	0	299.458	4.477	50	10		CICARO
C[N@H+](Cc1cccc(F)c1)Cc1c(O)ccc2ccccc21	ZINC000006507346	170207965	/nfs/dbraw/zinc/20/79/65/170207965.db2.gz	VBPOSJWYZQIPJF-UHFFFAOYSA-N	1	0	295.357	4.317	50	10		CICARO
Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1C	ZINC000012813373	566892819	/nfs/dbraw/zinc/89/28/19/566892819.db2.gz	ROEIPYITNCLZJT-GOSISDBHSA-N	1	0	281.399	4.346	50	10		CICARO
C[n+]1c2ccccc2sc1CC=CC=Nc1ccccc1	ZINC000003129739	567851601	/nfs/dbraw/zinc/85/16/01/567851601.db2.gz	DKMANWQLBCVQRU-UHFFFAOYSA-O	1	0	293.415	4.365	50	10		CICARO
Oc1ccc(-c2cccnc2)cc1C[NH2+]C1CCCCCC1	ZINC000014977082	567869765	/nfs/dbraw/zinc/86/97/65/567869765.db2.gz	PTFQVWRDYAJXAM-UHFFFAOYSA-N	1	0	296.414	4.267	50	10		CICARO
C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067650589	567900070	/nfs/dbraw/zinc/90/00/70/567900070.db2.gz	OOXIMPXLSBZPNQ-AWEZNQCLSA-N	1	0	298.430	4.278	50	10		CICARO
CCCCN1CCCc2cc(C[NH2+][C@H](C)CC)ccc21	ZINC000032919253	134770130	/nfs/dbraw/zinc/77/01/30/134770130.db2.gz	JEACVACFFPKQHH-OAHLLOKOSA-N	1	0	274.452	4.127	50	10		CICARO
C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]Cc1ccccc1O	ZINC000005028159	170057874	/nfs/dbraw/zinc/05/78/74/170057874.db2.gz	TYTJEFRFKUJPEU-ZIUDEIKKSA-N	1	0	299.458	4.477	50	10		CICARO
CCN(CC)c1ccc(C[NH2+]C2CCCCCC2)cc1	ZINC000006869666	170251376	/nfs/dbraw/zinc/25/13/76/170251376.db2.gz	GKSGYNWMHDJGER-UHFFFAOYSA-N	1	0	274.452	4.345	50	10		CICARO
Cc1cc(O)c(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1C	ZINC000029301171	567883908	/nfs/dbraw/zinc/88/39/08/567883908.db2.gz	CYKMSZYTXJZJFP-SFHVURJKSA-N	1	0	281.399	4.128	50	10		CICARO
[NH3+][C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc21	ZINC000032098974	567885472	/nfs/dbraw/zinc/88/54/72/567885472.db2.gz	YWXXGZSOEGFPNC-KRWDZBQOSA-N	1	0	283.758	4.247	50	10		CICARO
C[NH+](C)[C@H](c1ccccc1F)c1c(O)ccc2ccccc21	ZINC000065336740	570243520	/nfs/dbraw/zinc/24/35/20/570243520.db2.gz	JNTFIELVHJRPAH-LJQANCHMSA-N	1	0	295.357	4.336	50	10		CICARO
Cc1cccc(/C=C/c2cn(C)c3ccc(Cl)cc23)[n+]1C	ZINC000008738334	170353333	/nfs/dbraw/zinc/35/33/33/170353333.db2.gz	NSYPESZEXIBWEN-UHFFFAOYSA-N	1	0	297.809	4.135	50	10		CICARO
Oc1cc2[nH]c3ccccc3c2cc1C[NH+]1CCCCC1	ZINC000012844758	567115194	/nfs/dbraw/zinc/11/51/94/567115194.db2.gz	ZWULXSZHIQVCLK-UHFFFAOYSA-N	1	0	280.371	4.013	50	10		CICARO
Cc1nnc(Nc2c3ccccc3[nH+]c3ccccc32)s1	ZINC000004151278	567189655	/nfs/dbraw/zinc/18/96/55/567189655.db2.gz	GFEFCEBHDRVGDV-UHFFFAOYSA-N	1	0	292.367	4.292	50	10		CICARO
CC(C)(C)c1ccc(O)c(C[NH2+]C2CCCCC2)c1	ZINC000000338814	567825516	/nfs/dbraw/zinc/82/55/16/567825516.db2.gz	JTVHIQJYLQMKRA-UHFFFAOYSA-N	1	0	261.409	4.112	50	10		CICARO
C[NH+](C)Cc1cc(C(C)(C)CC(C)(C)C)ccc1O	ZINC000001666669	567840593	/nfs/dbraw/zinc/84/05/93/567840593.db2.gz	WNSUTQMGWMWAHF-UHFFFAOYSA-N	1	0	263.425	4.168	50	10		CICARO
Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1C	ZINC000029301165	567883965	/nfs/dbraw/zinc/88/39/65/567883965.db2.gz	CYKMSZYTXJZJFP-GOSISDBHSA-N	1	0	281.399	4.128	50	10		CICARO
CCC[N+](C)(C)c1ccc(/C=C/c2ccncc2)cc1	ZINC000036381226	567889377	/nfs/dbraw/zinc/88/93/77/567889377.db2.gz	CPIJIJPNNFOYKO-AATRIKPKSA-N	1	0	267.396	4.229	50	10		CICARO
CCN(CC)c1ccc(C[NH2+]Cc2ccc(C)cc2)cc1	ZINC000006869698	170251404	/nfs/dbraw/zinc/25/14/04/170251404.db2.gz	BLWRZGJCLAODGR-UHFFFAOYSA-N	1	0	282.431	4.131	50	10		CICARO
C[N@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)cc(O)c1O	ZINC000032751028	567867777	/nfs/dbraw/zinc/86/77/77/567867777.db2.gz	VGMZBMQCWXVVJL-UHFFFAOYSA-N	1	0	299.414	4.027	50	10		CICARO
Cc1cnccc1C[N@@H+](C)Cc1cccc(C(C)(C)C)c1O	ZINC000067695481	567900052	/nfs/dbraw/zinc/90/00/52/567900052.db2.gz	KVYPXXHDNRAVTB-UHFFFAOYSA-N	1	0	298.430	4.025	50	10		CICARO
C[NH+](C)[C@@H](c1ccccc1F)c1c(O)ccc2ccccc21	ZINC000065336738	570243783	/nfs/dbraw/zinc/24/37/83/570243783.db2.gz	JNTFIELVHJRPAH-IBGZPJMESA-N	1	0	295.357	4.336	50	10		CICARO
CCc1ccc([N+](=O)Nc2ccc(OC)cc2)cc1	ZINC000225399527	189749804	/nfs/dbraw/zinc/74/98/04/189749804.db2.gz	JGYQBJWIMZXKAB-UHFFFAOYSA-N	1	0	257.313	4.075	50	10		CICARO
CCCCN1CCCc2cc(C[NH2+][C@@H](C)CC)ccc21	ZINC000032919251	134769997	/nfs/dbraw/zinc/76/99/97/134769997.db2.gz	JEACVACFFPKQHH-HNNXBMFYSA-N	1	0	274.452	4.127	50	10		CICARO
CCN(CC)c1ccc(C[N@H+](C)CCc2ccccc2)cc1	ZINC000004980872	170048495	/nfs/dbraw/zinc/04/84/95/170048495.db2.gz	BKIPUJWWZUYCKF-UHFFFAOYSA-N	1	0	296.458	4.207	50	10		CICARO
CN(C)c1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1	ZINC000006857384	170250404	/nfs/dbraw/zinc/25/04/04/170250404.db2.gz	UQZGGRUCRXYWMO-UHFFFAOYSA-N	1	0	262.441	4.057	50	10		CICARO
Cc1cc(O)c(C[NH+]2CCC(C)CC2)cc1C(C)C	ZINC000057395166	567156610	/nfs/dbraw/zinc/15/66/10/567156610.db2.gz	XQOSPHMBRMGHTE-UHFFFAOYSA-N	1	0	261.409	4.056	50	10		CICARO
C[N@H+](Cc1c(O)ccc2ccccc21)C1CCCCC1	ZINC000003115792	567161316	/nfs/dbraw/zinc/16/13/16/567161316.db2.gz	GSGHUPMMVLRKMQ-UHFFFAOYSA-N	1	0	269.388	4.310	50	10		CICARO
C[NH+](C)CCC=C1c2ccccc2CCc2ccccc21	ZINC000000968257	567835542	/nfs/dbraw/zinc/83/55/42/567835542.db2.gz	KRMDCWKBEZIMAB-UHFFFAOYSA-N	1	0	277.411	4.169	50	10	fda	CICARO
CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1	ZINC000584904320	567855739	/nfs/dbraw/zinc/85/57/39/567855739.db2.gz	KQTGCRPSNWIKNN-BMUCWXDRSA-N	1	0	298.474	4.420	50	10		CICARO
Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccc1)CCC2	ZINC000032888331	567870434	/nfs/dbraw/zinc/87/04/34/567870434.db2.gz	PXWACRVWQWYTPQ-IBGZPJMESA-N	1	0	293.410	4.218	50	10		CICARO
COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1C	ZINC000004612847	567938377	/nfs/dbraw/zinc/93/83/77/567938377.db2.gz	VCLKJOUDJPBKGK-UHFFFAOYSA-N	1	0	285.431	4.062	50	10		CICARO
CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccccc2)cc1	ZINC000006517559	170208946	/nfs/dbraw/zinc/20/89/46/170208946.db2.gz	GGGYOYARZQCLFS-MRXNPFEDSA-N	1	0	282.431	4.384	50	10		CICARO
CSc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1	ZINC000040477041	174282943	/nfs/dbraw/zinc/28/29/43/174282943.db2.gz	OZYVBCCZSBMYJG-UHFFFAOYSA-N	1	0	293.819	4.057	50	10		CICARO
Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1C	ZINC000012813379	566893301	/nfs/dbraw/zinc/89/33/01/566893301.db2.gz	ROEIPYITNCLZJT-SFHVURJKSA-N	1	0	281.399	4.346	50	10		CICARO
CC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1	ZINC000004333498	567857073	/nfs/dbraw/zinc/85/70/73/567857073.db2.gz	CHMPGWXTGHICCV-IWAYRVGRSA-N	1	0	272.436	4.030	50	10		CICARO
C[C@@H]([NH2+]C1CCCCC1)c1cc(Cl)ccc1O	ZINC000012383663	567863040	/nfs/dbraw/zinc/86/30/40/567863040.db2.gz	ADPZROWFBBLIDB-SNVBAGLBSA-N	1	0	253.773	4.029	50	10		CICARO
CC[n+]1ccc(C=CNc2ccccc2)c2ccccc21	ZINC000100388960	567913089	/nfs/dbraw/zinc/91/30/89/567913089.db2.gz	QCOTZKGIQOBWFU-UHFFFAOYSA-O	1	0	275.375	4.230	50	10		CICARO
Cc1cc(C)c(N=[N+]=c2n(C)c3ccccc3n2C)c(C)c1	ZINC000004793773	170018696	/nfs/dbraw/zinc/01/86/96/170018696.db2.gz	YIIWDCKKAZZPET-UHFFFAOYSA-N	1	0	293.394	4.343	50	10		CICARO
C[C@@H]([NH2+]Cc1ccccc1O)C12CC3CC(CC(C3)C1)C2	ZINC000004859701	170032431	/nfs/dbraw/zinc/03/24/31/170032431.db2.gz	DMDVDEHNWMBMDZ-PGBRGIIUSA-N	1	0	285.431	4.087	50	10		CICARO
CCOc1ccc(N[N+](=O)c2ccc(OCC)cc2)cc1	ZINC000021983058	171344856	/nfs/dbraw/zinc/34/48/56/171344856.db2.gz	UORHOXHQYRBFGB-UHFFFAOYSA-N	1	0	287.339	4.301	50	10		CICARO
CCC[N@@H+](Cc1ccc(N(CC)CC)cc1)CC1CC1	ZINC000000278849	567823569	/nfs/dbraw/zinc/82/35/69/567823569.db2.gz	WEVDWQPCAHFKGF-UHFFFAOYSA-N	1	0	274.452	4.155	50	10		CICARO
CCOc1ccc(N[N+](=O)c2ccc(OCC)cc2)cc1	ZINC000004501604	567857675	/nfs/dbraw/zinc/85/76/75/567857675.db2.gz	QUICZVHSJNKDBL-ZCXUNETKSA-N	1	0	286.331	4.410	50	10		CICARO