smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(NC[C@H](c1ccc(C)cc1)[NH+](C)C)=[NH+]C	ZINC000065502983	187273581	/nfs/dbraw/zinc/27/35/81/187273581.db2.gz	MAGVPUFDQKVNRD-CYBMUJFWSA-N	2	2	248.374	1.393	50	30		BDEALP
C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(C#N)c1	ZINC000097034513	384547480	/nfs/dbraw/zinc/54/74/80/384547480.db2.gz	IIRPFEJBJOXGEY-FZMZJTMJSA-N	2	2	247.342	1.131	50	30		BDEALP
C=CCC[C@H](O)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000328586877	518727299	/nfs/dbraw/zinc/72/72/99/518727299.db2.gz	XTHKWFARLYXNLP-HZSPNIEDSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21	ZINC000328586877	518727306	/nfs/dbraw/zinc/72/73/06/518727306.db2.gz	XTHKWFARLYXNLP-HZSPNIEDSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21	ZINC000328586877	518727310	/nfs/dbraw/zinc/72/73/10/518727310.db2.gz	XTHKWFARLYXNLP-HZSPNIEDSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21	ZINC000328586877	518727315	/nfs/dbraw/zinc/72/73/15/518727315.db2.gz	XTHKWFARLYXNLP-HZSPNIEDSA-N	2	2	238.375	1.340	50	30		BDEALP
C[NH+](C)CCC[NH2+]CC#Cc1ccccc1	ZINC000020215526	386789955	/nfs/dbraw/zinc/78/99/55/386789955.db2.gz	PLTOWQMFVHUJLQ-UHFFFAOYSA-N	2	2	216.328	1.579	50	30		BDEALP
N#Cc1ccc(C[NH+]2CC(n3cc[nH+]c3)C2)cc1	ZINC000575550564	387653982	/nfs/dbraw/zinc/65/39/82/387653982.db2.gz	WLIRDYXFCMDTGS-UHFFFAOYSA-N	2	2	238.294	1.812	50	30		BDEALP
N#Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1	ZINC000020313998	181108654	/nfs/dbraw/zinc/10/86/54/181108654.db2.gz	DQEUKWWOOLHYAN-UHFFFAOYSA-N	2	2	240.310	1.935	50	30		BDEALP
C=CC[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1	ZINC000085821495	166356833	/nfs/dbraw/zinc/35/68/33/166356833.db2.gz	SFTLQGHYTJITQG-UHFFFAOYSA-N	2	2	239.388	1.671	50	30		BDEALP
C=CC[NH+](CC=C)C[C@@]1(O)CCC[N@@H+](CC)C1	ZINC000041124095	166335114	/nfs/dbraw/zinc/33/51/14/166335114.db2.gz	YXVWCHJONQLNJB-CQSZACIVSA-N	2	2	238.375	1.507	50	30		BDEALP
C=CC[NH+](CC=C)C[C@@]1(O)CCC[N@H+](CC)C1	ZINC000041124095	166335117	/nfs/dbraw/zinc/33/51/17/166335117.db2.gz	YXVWCHJONQLNJB-CQSZACIVSA-N	2	2	238.375	1.507	50	30		BDEALP
C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(C#N)c1	ZINC000097034514	384293746	/nfs/dbraw/zinc/29/37/46/384293746.db2.gz	IIRPFEJBJOXGEY-RISCZKNCSA-N	2	2	247.342	1.131	50	30		BDEALP
C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC000221147786	523825214	/nfs/dbraw/zinc/82/52/14/523825214.db2.gz	CRONDXDDHXVCBT-CQSZACIVSA-N	2	2	229.327	1.742	50	30		BDEALP
C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC000221147786	523825225	/nfs/dbraw/zinc/82/52/25/523825225.db2.gz	CRONDXDDHXVCBT-CQSZACIVSA-N	2	2	229.327	1.742	50	30		BDEALP
CC[NH+]1CCN(C=[NH+]c2nc(C)cs2)CC1	ZINC000008619777	372810537	/nfs/dbraw/zinc/81/05/37/372810537.db2.gz	GCJKLLKTXJDCLZ-UHFFFAOYSA-N	2	2	238.360	1.749	50	30		BDEALP
C[C@@H]1C[N@H+](C)[C@H](C)c2cc(/C=[NH+]/CCO)[nH]c21	ZINC000005355546	176280303	/nfs/dbraw/zinc/28/03/03/176280303.db2.gz	VANJHXWVRNXXCT-UKPKIQPSSA-N	2	2	235.331	1.536	50	30		BDEALP
C[C@@H]1C[N@@H+](C)[C@H](C)c2cc(/C=[NH+]/CCO)[nH]c21	ZINC000005355546	176280304	/nfs/dbraw/zinc/28/03/04/176280304.db2.gz	VANJHXWVRNXXCT-UKPKIQPSSA-N	2	2	235.331	1.536	50	30		BDEALP
C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21	ZINC000328586880	518728520	/nfs/dbraw/zinc/72/85/20/518728520.db2.gz	XTHKWFARLYXNLP-RDBSUJKOSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000328586880	518728507	/nfs/dbraw/zinc/72/85/07/518728507.db2.gz	XTHKWFARLYXNLP-RDBSUJKOSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21	ZINC000328586880	518728514	/nfs/dbraw/zinc/72/85/14/518728514.db2.gz	XTHKWFARLYXNLP-RDBSUJKOSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000328586880	518728502	/nfs/dbraw/zinc/72/85/02/518728502.db2.gz	XTHKWFARLYXNLP-RDBSUJKOSA-N	2	2	238.375	1.340	50	30		BDEALP
CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000252484221	523672982	/nfs/dbraw/zinc/67/29/82/523672982.db2.gz	FRZZCKODRGZKCB-LBPRGKRZSA-N	2	2	234.347	1.132	50	30		BDEALP
C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC000221143834	523827545	/nfs/dbraw/zinc/82/75/45/523827545.db2.gz	DEVUMPJLUIZGEE-CQSZACIVSA-N	2	2	229.327	1.742	50	30		BDEALP
C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC000221143834	523827547	/nfs/dbraw/zinc/82/75/47/523827547.db2.gz	DEVUMPJLUIZGEE-CQSZACIVSA-N	2	2	229.327	1.742	50	30		BDEALP
Cc1cc(N2CCCC2)ccc1C=[NH+]NC(N)=[NH2+]	ZINC000001414465	178112970	/nfs/dbraw/zinc/11/29/70/178112970.db2.gz	INJSPAOAAZAHAF-CXUHLZMHSA-N	2	2	245.330	1.412	50	30		BDEALP
CC[NH+](CC)CCC[NH+]1CCC(C#N)CC1	ZINC000170607393	398344009	/nfs/dbraw/zinc/34/40/09/398344009.db2.gz	SVMDVFHVVFKKMB-UHFFFAOYSA-N	2	2	223.364	1.954	50	30		BDEALP
CCNC(NCCc1cc[nH+]cc1C)=[NH+]CC	ZINC000097229673	170042290	/nfs/dbraw/zinc/04/22/90/170042290.db2.gz	JMIXYZZUPYXABP-UHFFFAOYSA-N	2	2	234.347	1.508	50	30		BDEALP
C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21	ZINC000328586878	518728690	/nfs/dbraw/zinc/72/86/90/518728690.db2.gz	XTHKWFARLYXNLP-IHRRRGAJSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000328586878	518728677	/nfs/dbraw/zinc/72/86/77/518728677.db2.gz	XTHKWFARLYXNLP-IHRRRGAJSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000328586878	518728681	/nfs/dbraw/zinc/72/86/81/518728681.db2.gz	XTHKWFARLYXNLP-IHRRRGAJSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21	ZINC000328586878	518728687	/nfs/dbraw/zinc/72/86/87/518728687.db2.gz	XTHKWFARLYXNLP-IHRRRGAJSA-N	2	2	238.375	1.340	50	30		BDEALP
C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(C#N)c1	ZINC000097034515	384294131	/nfs/dbraw/zinc/29/41/31/384294131.db2.gz	IIRPFEJBJOXGEY-SMDDNHRTSA-N	2	2	247.342	1.131	50	30		BDEALP
N#Cc1c(-n2cc[nH+]c2)cccc1-n1cc[nH+]c1	ZINC000000075483	181072812	/nfs/dbraw/zinc/07/28/12/181072812.db2.gz	SKYQQENDYWWNJS-UHFFFAOYSA-N	2	2	235.250	1.930	50	30		BDEALP
Cn1cc[nH+]c1CC[NH+]1CCC(C)(C#N)CC1	ZINC000226318565	538115550	/nfs/dbraw/zinc/11/55/50/538115550.db2.gz	SLXWJOOCRAMAFP-UHFFFAOYSA-N	2	2	232.331	1.588	50	30		BDEALP
CNC(NCc1ccccc1-n1cc[nH+]c1)=[NH+]C	ZINC000252497090	524038420	/nfs/dbraw/zinc/03/84/20/524038420.db2.gz	PYPVCCZHCYGCAB-UHFFFAOYSA-N	2	2	243.314	1.167	50	30		BDEALP
CSC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1	ZINC000013465942	385340296	/nfs/dbraw/zinc/34/02/96/385340296.db2.gz	MJMIMNUXLBXEDI-UHFFFAOYSA-N	2	2	242.735	1.964	50	30		BDEALP
C=C(C)C[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1	ZINC000069510704	388418365	/nfs/dbraw/zinc/41/83/65/388418365.db2.gz	GZYZDAQFZZPWKN-ZDUSSCGKSA-N	2	2	248.374	1.502	50	30		BDEALP
C=C(C)C[N@H+]1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1	ZINC000069510704	388418368	/nfs/dbraw/zinc/41/83/68/388418368.db2.gz	GZYZDAQFZZPWKN-ZDUSSCGKSA-N	2	2	248.374	1.502	50	30		BDEALP
C=CC[NH+](CC=C)C[C@]1(O)CCC[N@@H+](CC)C1	ZINC000041124097	166333937	/nfs/dbraw/zinc/33/39/37/166333937.db2.gz	YXVWCHJONQLNJB-AWEZNQCLSA-N	2	2	238.375	1.507	50	30		BDEALP
C=CC[NH+](CC=C)C[C@]1(O)CCC[N@H+](CC)C1	ZINC000041124097	166333940	/nfs/dbraw/zinc/33/39/40/166333940.db2.gz	YXVWCHJONQLNJB-AWEZNQCLSA-N	2	2	238.375	1.507	50	30		BDEALP
C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(C#N)c1	ZINC000097034516	384293609	/nfs/dbraw/zinc/29/36/09/384293609.db2.gz	IIRPFEJBJOXGEY-BXUZGUMPSA-N	2	2	247.342	1.131	50	30		BDEALP
CNC(NC[C@@H](c1cccs1)[NH+](C)C)=[NH+]C	ZINC000058112182	387423134	/nfs/dbraw/zinc/42/31/34/387423134.db2.gz	VDMXIQNDWMRXCB-VIFPVBQESA-N	2	2	240.376	1.146	50	30		BDEALP
C[NH+](C)CC[NH2+]CCCOc1ccccc1C#N	ZINC000020418789	388767545	/nfs/dbraw/zinc/76/75/45/388767545.db2.gz	VURQMZWBHOAIMQ-UHFFFAOYSA-N	2	2	247.342	1.478	50	30		BDEALP
C=CCC[C@H](O)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000328586879	518727867	/nfs/dbraw/zinc/72/78/67/518727867.db2.gz	XTHKWFARLYXNLP-MELADBBJSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000328586879	518727871	/nfs/dbraw/zinc/72/78/71/518727871.db2.gz	XTHKWFARLYXNLP-MELADBBJSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21	ZINC000328586879	518727878	/nfs/dbraw/zinc/72/78/78/518727878.db2.gz	XTHKWFARLYXNLP-MELADBBJSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21	ZINC000328586879	518727884	/nfs/dbraw/zinc/72/78/84/518727884.db2.gz	XTHKWFARLYXNLP-MELADBBJSA-N	2	2	238.375	1.340	50	30		BDEALP
C=CCn1cc(C[NH2+]CCc2c[nH]c[nH+]2)c(C)n1	ZINC000055308073	353351911	/nfs/dbraw/zinc/35/19/11/353351911.db2.gz	UZJOYUFLZJIFDB-UHFFFAOYSA-N	2	2	245.330	1.433	50	30		BDEALP
C=CCn1cc(C[NH2+]CCc2c[nH+]c[nH]2)c(C)n1	ZINC000055308073	353351912	/nfs/dbraw/zinc/35/19/12/353351912.db2.gz	UZJOYUFLZJIFDB-UHFFFAOYSA-N	2	2	245.330	1.433	50	30		BDEALP
C[C@H]1C[N@H+](C)[C@@H](C)c2cc(/C=[NH+]/CCO)[nH]c21	ZINC000003160337	177238238	/nfs/dbraw/zinc/23/82/38/177238238.db2.gz	VANJHXWVRNXXCT-CZYGQQSCSA-N	2	2	235.331	1.536	50	30		BDEALP
C[C@H]1C[N@@H+](C)[C@@H](C)c2cc(/C=[NH+]/CCO)[nH]c21	ZINC000003160337	177238240	/nfs/dbraw/zinc/23/82/40/177238240.db2.gz	VANJHXWVRNXXCT-CZYGQQSCSA-N	2	2	235.331	1.536	50	30		BDEALP
C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC000221143890	523852491	/nfs/dbraw/zinc/85/24/91/523852491.db2.gz	DEVUMPJLUIZGEE-AWEZNQCLSA-N	2	2	229.327	1.742	50	30		BDEALP
C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC000221143890	523852497	/nfs/dbraw/zinc/85/24/97/523852497.db2.gz	DEVUMPJLUIZGEE-AWEZNQCLSA-N	2	2	229.327	1.742	50	30		BDEALP
N#Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1	ZINC000019230103	181104116	/nfs/dbraw/zinc/10/41/16/181104116.db2.gz	CKHPOEAVFDQAKD-UHFFFAOYSA-N	2	2	215.300	1.354	50	30		BDEALP
N#Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1	ZINC000019230103	181104118	/nfs/dbraw/zinc/10/41/18/181104118.db2.gz	CKHPOEAVFDQAKD-UHFFFAOYSA-N	2	2	215.300	1.354	50	30		BDEALP
C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC000221147848	523852786	/nfs/dbraw/zinc/85/27/86/523852786.db2.gz	CRONDXDDHXVCBT-AWEZNQCLSA-N	2	2	229.327	1.742	50	30		BDEALP
C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC000221147848	523852784	/nfs/dbraw/zinc/85/27/84/523852784.db2.gz	CRONDXDDHXVCBT-AWEZNQCLSA-N	2	2	229.327	1.742	50	30		BDEALP
C#CC[NH+]1CCC([NH2+]CCc2ccncc2)CC1	ZINC000048262076	343057757	/nfs/dbraw/zinc/05/77/57/343057757.db2.gz	ZISQMYUWFBWNEX-UHFFFAOYSA-N	2	2	243.354	1.311	50	30		BDEALP
C=C(C)C[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1	ZINC000069510701	388418692	/nfs/dbraw/zinc/41/86/92/388418692.db2.gz	GZYZDAQFZZPWKN-CYBMUJFWSA-N	2	2	248.374	1.502	50	30		BDEALP
C=C(C)C[N@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1	ZINC000069510701	388418693	/nfs/dbraw/zinc/41/86/93/388418693.db2.gz	GZYZDAQFZZPWKN-CYBMUJFWSA-N	2	2	248.374	1.502	50	30		BDEALP
CC1(C)CC([NH2+]CCC#N)CC(C)(C)[NH2+]1	ZINC000002494891	383965473	/nfs/dbraw/zinc/96/54/73/383965473.db2.gz	ZQWMCKVAMCDZSL-UHFFFAOYSA-N	2	2	209.337	1.799	50	30		BDEALP
C[C@@H]1C[N@H+](C)[C@@H](C)c2cc(/C=[NH+]/CCO)[nH]c21	ZINC000018194858	384985400	/nfs/dbraw/zinc/98/54/00/384985400.db2.gz	VANJHXWVRNXXCT-ANQXUQOXSA-N	2	2	235.331	1.536	50	30		BDEALP
C[C@@H]1C[N@@H+](C)[C@@H](C)c2cc(/C=[NH+]/CCO)[nH]c21	ZINC000018194858	384985405	/nfs/dbraw/zinc/98/54/05/384985405.db2.gz	VANJHXWVRNXXCT-ANQXUQOXSA-N	2	2	235.331	1.536	50	30		BDEALP
CNC(NCCCc1[nH]c2ccccc2[nH+]1)=[NH+]C	ZINC000058329390	188358851	/nfs/dbraw/zinc/35/88/51/188358851.db2.gz	SILHIPCNAZAVLH-UHFFFAOYSA-N	2	2	245.330	1.290	50	30		BDEALP
CC[NH+](CC)CCCC#CC[NH+]1CCOCC1	ZINC000001689783	355909779	/nfs/dbraw/zinc/90/97/79/355909779.db2.gz	SIBRDWDDSXUATG-UHFFFAOYSA-N	2	2	238.375	1.444	50	30		BDEALP
CN(C)C(=[NH+]CCCNc1cccc[nH+]1)N(C)C	ZINC000170905276	523969188	/nfs/dbraw/zinc/96/91/88/523969188.db2.gz	GFODDYDNBQNSIS-UHFFFAOYSA-N	2	2	249.362	1.363	50	30		BDEALP
CNC(NC[C@@H](c1ccc(C)cc1)[NH+](C)C)=[NH+]C	ZINC000065502989	191001587	/nfs/dbraw/zinc/00/15/87/191001587.db2.gz	MAGVPUFDQKVNRD-ZDUSSCGKSA-N	2	2	248.374	1.393	50	30		BDEALP
N#Cc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1	ZINC000020126865	181107831	/nfs/dbraw/zinc/10/78/31/181107831.db2.gz	RQMABMWZDWCEJP-UHFFFAOYSA-N	2	2	229.327	1.744	50	30		BDEALP
C=CC[NH+]1CCC([NH2+]C2CCOCC2)CC1	ZINC000089893977	166353583	/nfs/dbraw/zinc/35/35/83/166353583.db2.gz	JPBRKNSPCDPDLL-UHFFFAOYSA-N	2	2	224.348	1.405	50	30		BDEALP
C[NH+]=C(NC[C@@H](C(C)C)[NH+](C)C)c1ccco1	ZINC000071843642	374308770	/nfs/dbraw/zinc/30/87/70/374308770.db2.gz	WZZWWOFQZPLDSR-NSHDSACASA-N	2	2	237.347	1.832	50	30		BDEALP
C[NH+]=C(NC[C@H](C(C)C)[NH+](C)C)c1ccco1	ZINC000071843640	374309184	/nfs/dbraw/zinc/30/91/84/374309184.db2.gz	WZZWWOFQZPLDSR-LLVKDONJSA-N	2	2	237.347	1.832	50	30		BDEALP
CC(=NNC(N)=[NH2+])c1ccc(-n2cc[nH+]c2)cc1	ZINC000606347488	388389321	/nfs/dbraw/zinc/38/93/21/388389321.db2.gz	GLNBBZRPLXMRJQ-UHFFFAOYSA-N	2	2	242.286	1.079	50	30		BDEALP
Cn1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1C#N	ZINC000091526382	388633559	/nfs/dbraw/zinc/63/35/59/388633559.db2.gz	IQRHHSLGDMQXDP-KGLIPLIRSA-N	2	2	244.342	1.066	50	30		BDEALP
Cn1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1C#N	ZINC000091526382	388633562	/nfs/dbraw/zinc/63/35/62/388633562.db2.gz	IQRHHSLGDMQXDP-KGLIPLIRSA-N	2	2	244.342	1.066	50	30		BDEALP
[NH2+]=C1CCC([NH3+])C2=C1C(=O)c1ccccc1C2=O	ZINC000013597418	181338538	/nfs/dbraw/zinc/33/85/38/181338538.db2.gz	SSGALQHXKMAJTL-UHFFFAOYSA-N	2	2	240.262	1.285	50	30	in-vitro	BDEALP
C#CC[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000041654554	388439402	/nfs/dbraw/zinc/43/94/02/388439402.db2.gz	DLCBVAMDAICYND-UHFFFAOYSA-N	2	2	206.333	1.570	50	30		BDEALP
C[C@@H]1c2cc(/C=[NH+]/CCO)[nH]c2[C@@H](C)C[N@@H+]1C	ZINC000005358515	177240815	/nfs/dbraw/zinc/24/08/15/177240815.db2.gz	VANJHXWVRNXXCT-GCLRIOKPSA-N	2	2	235.331	1.536	50	30		BDEALP
C[C@@H]1c2cc(/C=[NH+]/CCO)[nH]c2[C@@H](C)C[N@H+]1C	ZINC000005358515	177240817	/nfs/dbraw/zinc/24/08/17/177240817.db2.gz	VANJHXWVRNXXCT-GCLRIOKPSA-N	2	2	235.331	1.536	50	30		BDEALP
NC(=[NH2+])Nc1ccc([NH+]2CCCCCC2)cc1	ZINC000056895821	181322969	/nfs/dbraw/zinc/32/29/69/181322969.db2.gz	RTFQJNUFWMCKSD-UHFFFAOYSA-N	2	2	232.331	1.972	50	30		BDEALP
CNC(NC[C@H](c1cccs1)[NH+](C)C)=[NH+]C	ZINC000058112188	387423517	/nfs/dbraw/zinc/42/35/17/387423517.db2.gz	VDMXIQNDWMRXCB-SECBINFHSA-N	2	2	240.376	1.146	50	30		BDEALP
CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000252484220	523670747	/nfs/dbraw/zinc/67/07/47/523670747.db2.gz	FRZZCKODRGZKCB-GFCCVEGCSA-N	2	2	234.347	1.132	50	30		BDEALP