smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1	ZINC000584906817	930651506	/nfs/dbraw/zinc/65/15/06/930651506.db2.gz	SKINBFTXJWIOMR-KRWDZBQOSA-N	2	2	299.418	1.827	50	30		CDEALP
C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1	ZINC000584906817	930651513	/nfs/dbraw/zinc/65/15/13/930651513.db2.gz	SKINBFTXJWIOMR-KRWDZBQOSA-N	2	2	299.418	1.827	50	30		CDEALP
CC[NH+](CC)[C@@H](CNC(NC)=[NH+]C)c1ccsc1	ZINC000097199642	375153198	/nfs/dbraw/zinc/15/31/98/375153198.db2.gz	LZLKZOBOWDDLAC-LBPRGKRZSA-N	2	2	268.430	1.926	50	30		CDEALP
COc1cccc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)c1	ZINC000000472779	355913593	/nfs/dbraw/zinc/91/35/93/355913593.db2.gz	FKLHIDWHBMAEEJ-UHFFFAOYSA-N	2	2	287.367	1.851	50	30		CDEALP
C[C@@H]1C[NH+](CC#CC[N@H+]2CCCO[C@@H](C)C2)CCCO1	ZINC000252503267	393385629	/nfs/dbraw/zinc/38/56/29/393385629.db2.gz	VAMUFKDNXADZGX-IYBDPMFKSA-N	2	2	280.412	1.211	50	30		CDEALP
C[C@@H]1C[N@H+](CC#CC[NH+]2CCCO[C@@H](C)C2)CCCO1	ZINC000252503267	393385633	/nfs/dbraw/zinc/38/56/33/393385633.db2.gz	VAMUFKDNXADZGX-IYBDPMFKSA-N	2	2	280.412	1.211	50	30		CDEALP
C[C@@H]1C[N@@H+](CC#CC[NH+]2CCCO[C@@H](C)C2)CCCO1	ZINC000252503267	393385639	/nfs/dbraw/zinc/38/56/39/393385639.db2.gz	VAMUFKDNXADZGX-IYBDPMFKSA-N	2	2	280.412	1.211	50	30		CDEALP
C[NH+](C)C[C@]1(CO)CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000215320182	374286773	/nfs/dbraw/zinc/28/67/73/374286773.db2.gz	DUAWPLCUHRPAJF-QGZVFWFLSA-N	2	2	287.407	1.694	50	30		CDEALP
C[NH+](C)C[C@]1(CO)CCC[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000215320182	374286783	/nfs/dbraw/zinc/28/67/83/374286783.db2.gz	DUAWPLCUHRPAJF-QGZVFWFLSA-N	2	2	287.407	1.694	50	30		CDEALP
N#Cc1cccc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1	ZINC000077392356	177262638	/nfs/dbraw/zinc/26/26/38/177262638.db2.gz	DGDQRXYULVTELZ-SFHVURJKSA-N	2	2	299.418	1.981	50	30		CDEALP
N#Cc1cccc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1	ZINC000077392356	177262640	/nfs/dbraw/zinc/26/26/40/177262640.db2.gz	DGDQRXYULVTELZ-SFHVURJKSA-N	2	2	299.418	1.981	50	30		CDEALP
C=CCCC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000012441164	361276485	/nfs/dbraw/zinc/27/64/85/361276485.db2.gz	YHKBOQUWRYQUML-AWEZNQCLSA-N	2	2	279.428	1.627	50	30		CDEALP
C=CCCC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000012441164	361276488	/nfs/dbraw/zinc/27/64/88/361276488.db2.gz	YHKBOQUWRYQUML-AWEZNQCLSA-N	2	2	279.428	1.627	50	30		CDEALP
C=CCC[C@@H](O)C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1	ZINC000096473651	357482457	/nfs/dbraw/zinc/48/24/57/357482457.db2.gz	NCFXELVKEXSTBR-CYBMUJFWSA-N	2	2	297.468	1.813	50	30		CDEALP
C=CCN(Cc1ccc(C)s1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1	ZINC000067955630	390417811	/nfs/dbraw/zinc/41/78/11/390417811.db2.gz	HAXOSEPFDARQCJ-YPMHNXCESA-N	2	2	279.409	1.260	50	30		CDEALP
COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cc(C#N)c(C)[nH]2)C1	ZINC000670463527	483053403	/nfs/dbraw/zinc/05/34/03/483053403.db2.gz	QUGOEBRXPLKWEF-AWEZNQCLSA-N	2	2	290.411	1.595	50	30		CDEALP
COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cc(C#N)c(C)[nH]2)C1	ZINC000670463527	483053411	/nfs/dbraw/zinc/05/34/11/483053411.db2.gz	QUGOEBRXPLKWEF-AWEZNQCLSA-N	2	2	290.411	1.595	50	30		CDEALP
COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cc(C#N)c(C)[nH]2)C1	ZINC000670463527	483053419	/nfs/dbraw/zinc/05/34/19/483053419.db2.gz	QUGOEBRXPLKWEF-AWEZNQCLSA-N	2	2	290.411	1.595	50	30		CDEALP
COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cc(C#N)c(C)[nH]2)C1	ZINC000670463527	483053423	/nfs/dbraw/zinc/05/34/23/483053423.db2.gz	QUGOEBRXPLKWEF-AWEZNQCLSA-N	2	2	290.411	1.595	50	30		CDEALP
C=CCCC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000012441162	361276740	/nfs/dbraw/zinc/27/67/40/361276740.db2.gz	YHKBOQUWRYQUML-CQSZACIVSA-N	2	2	279.428	1.627	50	30		CDEALP
C=CCCC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000012441162	361276743	/nfs/dbraw/zinc/27/67/43/361276743.db2.gz	YHKBOQUWRYQUML-CQSZACIVSA-N	2	2	279.428	1.627	50	30		CDEALP
[NH2+]=C1NC(Nc2ccccc2)=[NH+][C@H](c2ccccc2)N1	ZINC000018163421	374068606	/nfs/dbraw/zinc/06/86/06/374068606.db2.gz	NKJHASFCPTYAIR-CYBMUJFWSA-N	2	2	265.320	1.880	50	30		CDEALP
CC1(C)NC(=[NH2+])NC(Nc2ccccc2Br)=[NH+]1	ZINC000000228022	355898300	/nfs/dbraw/zinc/89/83/00/355898300.db2.gz	ANIMRBIDQOFWIG-UHFFFAOYSA-N	2	2	296.172	1.890	50	30		CDEALP
C[NH+]1CCN(C2=[NH+]C3(CCCCC3)C(C#N)C(=O)N2)CC1	ZINC000013693422	356353931	/nfs/dbraw/zinc/35/39/31/356353931.db2.gz	RAKSFSUYGPSHLQ-GFCCVEGCSA-N	2	2	289.383	1.403	50	30		CDEALP
CNC(NC[C@H](c1ccc(F)cc1)[NH+](C)C)=[NH+]C	ZINC000241383306	283273073	/nfs/dbraw/zinc/27/30/73/283273073.db2.gz	MUDOWKWEXWWTNL-GFCCVEGCSA-N	2	2	252.337	1.223	50	30		CDEALP
CCn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C#N	ZINC000670440017	482984515	/nfs/dbraw/zinc/98/45/15/482984515.db2.gz	QYUQZKYGXCOBOT-ZDUSSCGKSA-N	2	2	260.385	1.763	50	30		CDEALP
CCn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C#N	ZINC000670440017	482984519	/nfs/dbraw/zinc/98/45/19/482984519.db2.gz	QYUQZKYGXCOBOT-ZDUSSCGKSA-N	2	2	260.385	1.763	50	30		CDEALP
COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cc(C#N)c(C)[nH]2)C1	ZINC000670463528	483052747	/nfs/dbraw/zinc/05/27/47/483052747.db2.gz	QUGOEBRXPLKWEF-CQSZACIVSA-N	2	2	290.411	1.595	50	30		CDEALP
COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cc(C#N)c(C)[nH]2)C1	ZINC000670463528	483052752	/nfs/dbraw/zinc/05/27/52/483052752.db2.gz	QUGOEBRXPLKWEF-CQSZACIVSA-N	2	2	290.411	1.595	50	30		CDEALP
COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cc(C#N)c(C)[nH]2)C1	ZINC000670463528	483052756	/nfs/dbraw/zinc/05/27/56/483052756.db2.gz	QUGOEBRXPLKWEF-CQSZACIVSA-N	2	2	290.411	1.595	50	30		CDEALP
COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cc(C#N)c(C)[nH]2)C1	ZINC000670463528	483052763	/nfs/dbraw/zinc/05/27/63/483052763.db2.gz	QUGOEBRXPLKWEF-CQSZACIVSA-N	2	2	290.411	1.595	50	30		CDEALP
C=CCC(C)(C)C[N@H+]1C[C@H]([NH3+])C[C@H]1C(=O)N(CC)CC	ZINC000067894814	518686917	/nfs/dbraw/zinc/68/69/17/518686917.db2.gz	WNGJXFBYFVDJAD-KGLIPLIRSA-N	2	2	281.444	1.859	50	30		CDEALP
C=CCC(C)(C)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C(=O)N(CC)CC	ZINC000067894814	518686924	/nfs/dbraw/zinc/68/69/24/518686924.db2.gz	WNGJXFBYFVDJAD-KGLIPLIRSA-N	2	2	281.444	1.859	50	30		CDEALP
N#Cc1cccc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)c1	ZINC000252518172	374155289	/nfs/dbraw/zinc/15/52/89/374155289.db2.gz	AFIWUEYHTHXPHF-BETUJISGSA-N	2	2	294.362	1.747	50	30		CDEALP
[NH2+]=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CCCCCC1	ZINC000097228059	342217350	/nfs/dbraw/zinc/21/73/50/342217350.db2.gz	LGYLJQKYCWOFDX-UHFFFAOYSA-N	2	2	298.394	1.958	50	30		CDEALP
C=CC[N@@H+]1CCC[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2	ZINC000067954377	356962401	/nfs/dbraw/zinc/96/24/01/356962401.db2.gz	UDKOZPMJFGDYCX-GFCCVEGCSA-N	2	2	274.368	1.808	50	30		CDEALP
C=CC[N@H+]1CCC[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2	ZINC000067954377	356962403	/nfs/dbraw/zinc/96/24/03/356962403.db2.gz	UDKOZPMJFGDYCX-GFCCVEGCSA-N	2	2	274.368	1.808	50	30		CDEALP
C=CCC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000015065844	361406785	/nfs/dbraw/zinc/40/67/85/361406785.db2.gz	LQAFPKHJJWMOGQ-CYBMUJFWSA-N	2	2	265.401	1.237	50	30		CDEALP
C=CCC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000015065844	361406789	/nfs/dbraw/zinc/40/67/89/361406789.db2.gz	LQAFPKHJJWMOGQ-CYBMUJFWSA-N	2	2	265.401	1.237	50	30		CDEALP
C=CC[N@H+]1CC[C@@H](CNc2nc(N(C)C)c(C)c[nH+]2)C1	ZINC000065409685	363119289	/nfs/dbraw/zinc/11/92/89/363119289.db2.gz	MKXCMCQMJBAQAH-ZDUSSCGKSA-N	2	2	275.400	1.771	50	30		CDEALP
C=CC[N@@H+]1CC[C@@H](CNc2nc(N(C)C)c(C)c[nH+]2)C1	ZINC000065409685	363119292	/nfs/dbraw/zinc/11/92/92/363119292.db2.gz	MKXCMCQMJBAQAH-ZDUSSCGKSA-N	2	2	275.400	1.771	50	30		CDEALP
C#CC[NH+]1CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1	ZINC000952959729	1164284713	/nfs/dbraw/zinc/28/47/13/1164284713.db2.gz	CWHPPNCMCVOZJV-UHFFFAOYSA-N	2	2	284.363	1.456	50	30		CDEALP
CNC(NC[C@@H](c1ccc(F)cc1)[NH+](C)C)=[NH+]C	ZINC000241383307	361752377	/nfs/dbraw/zinc/75/23/77/361752377.db2.gz	MUDOWKWEXWWTNL-LBPRGKRZSA-N	2	2	252.337	1.223	50	30		CDEALP
C[n+]1c(-c2ccc(/C=N/[NH+]=C(N)N)cc2)cn2ccsc21	ZINC000006090760	170174896	/nfs/dbraw/zinc/17/48/96/170174896.db2.gz	KKBINMTXXKWZOU-CAOOACKPSA-N	2	2	299.383	1.100	50	30		CDEALP
C=CCN[C@@H]([NH3+])SCCCCS[C@H]([NH3+])NCC=C	ZINC000019324052	364074451	/nfs/dbraw/zinc/07/44/51/364074451.db2.gz	PNURLCSKFYRWSU-VXGBXAGGSA-N	2	2	290.502	1.269	50	30		CDEALP
CCC[NH+]1CCC([NH+]2CCN([C@H](C)C#N)CC2)CC1	ZINC000195559616	342628491	/nfs/dbraw/zinc/62/84/91/342628491.db2.gz	AIVXCCMMYANYHR-CQSZACIVSA-N	2	2	264.417	1.390	50	30		CDEALP
CC[NH+]1CCC(CNc2nccnc2C#N)([NH+](C)C)CC1	ZINC000584894552	349354396	/nfs/dbraw/zinc/35/43/96/349354396.db2.gz	UBMPKXWNXYEZHO-UHFFFAOYSA-N	2	2	288.399	1.176	50	30		CDEALP
CCNC(NCCc1cn2c([nH+]1)CCCC2)=[NH+]CC	ZINC000097199648	375153189	/nfs/dbraw/zinc/15/31/89/375153189.db2.gz	AJEBZIXDWQYVGW-UHFFFAOYSA-N	2	2	263.389	1.337	50	30		CDEALP
C[NH+]=C(NCCc1cn2ccccc2[nH+]1)NCc1ccco1	ZINC000253420581	361943047	/nfs/dbraw/zinc/94/30/47/361943047.db2.gz	IIVMAGUUOKDNTQ-UHFFFAOYSA-N	2	2	297.362	1.835	50	30		CDEALP
N#CCC[C@H](C#N)C[NH+]1CCC(n2cc[nH+]c2)CC1	ZINC000084613323	362268932	/nfs/dbraw/zinc/26/89/32/362268932.db2.gz	JHUZFSHFMZEQGI-CYBMUJFWSA-N	2	2	257.341	1.964	50	30		CDEALP
C=CCn1cc(C[N@@H+]2CCO[C@H](CC[NH+](C)C)C2)c(C)n1	ZINC000011934983	391640524	/nfs/dbraw/zinc/64/05/24/391640524.db2.gz	CPEDBMIVDAFIOH-MRXNPFEDSA-N	2	2	292.427	1.530	50	30		CDEALP
C=CCn1cc(C[N@H+]2CCO[C@H](CC[NH+](C)C)C2)c(C)n1	ZINC000011934983	391640531	/nfs/dbraw/zinc/64/05/31/391640531.db2.gz	CPEDBMIVDAFIOH-MRXNPFEDSA-N	2	2	292.427	1.530	50	30		CDEALP
C[NH+](C)C1(CNc2cccc(C#N)n2)CC[NH+](C)CC1	ZINC000670447666	483001186	/nfs/dbraw/zinc/00/11/86/483001186.db2.gz	VJKYLSNMBZQXPB-UHFFFAOYSA-N	2	2	273.384	1.391	50	30		CDEALP
CCCCOCCCNC(NCCCn1cc[nH+]c1)=[NH+]C	ZINC000095959577	740927872	/nfs/dbraw/zinc/92/78/72/740927872.db2.gz	RROOCJWRTXDECY-UHFFFAOYSA-N	2	2	295.431	1.645	50	30		CDEALP
C=CCC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000015065845	361406661	/nfs/dbraw/zinc/40/66/61/361406661.db2.gz	LQAFPKHJJWMOGQ-ZDUSSCGKSA-N	2	2	265.401	1.237	50	30		CDEALP
C=CCC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000015065845	361406671	/nfs/dbraw/zinc/40/66/71/361406671.db2.gz	LQAFPKHJJWMOGQ-ZDUSSCGKSA-N	2	2	265.401	1.237	50	30		CDEALP
N#CCCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000096424598	390516071	/nfs/dbraw/zinc/51/60/71/390516071.db2.gz	RDERHQVOVKGJIW-CQSZACIVSA-N	2	2	251.374	1.334	50	30		CDEALP
N#CCCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000096424598	390516074	/nfs/dbraw/zinc/51/60/74/390516074.db2.gz	RDERHQVOVKGJIW-CQSZACIVSA-N	2	2	251.374	1.334	50	30		CDEALP
CC1(C)NC(=[NH2+])NC(Nc2ccccc2Cl)=[NH+]1	ZINC000000146426	355890442	/nfs/dbraw/zinc/89/04/42/355890442.db2.gz	NFAPARBFVDLKOR-UHFFFAOYSA-N	2	2	251.721	1.781	50	30		CDEALP
CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)n(C)c1C	ZINC000023248805	359224471	/nfs/dbraw/zinc/22/44/71/359224471.db2.gz	VLVOPXKEJDMYJW-CQSZACIVSA-N	2	2	260.385	1.779	50	30		CDEALP
CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)n(C)c1C	ZINC000023248805	359224477	/nfs/dbraw/zinc/22/44/77/359224477.db2.gz	VLVOPXKEJDMYJW-CQSZACIVSA-N	2	2	260.385	1.779	50	30		CDEALP
C/C(=N\O)C(C)(C)[NH2+]CCC[NH2+]C(C)(C)/C(C)=N/O	ZINC000004529687	356034959	/nfs/dbraw/zinc/03/49/59/356034959.db2.gz	CBZKJIFDOVBYKP-OTYYAQKOSA-N	2	2	272.393	1.813	50	30		CDEALP
Cc1cc(NCCc2c[nH+]cn2C)c(C#N)c(C)[nH+]1	ZINC000097373501	356094678	/nfs/dbraw/zinc/09/46/78/356094678.db2.gz	JMNCHJAAORKFOE-UHFFFAOYSA-N	2	2	255.325	1.958	50	30		CDEALP
C[C@H](CNC(=[NH2+])N1CCCCCC1)[N@@H+]1CCOC[C@H]1C	ZINC000253370638	342416419	/nfs/dbraw/zinc/41/64/19/342416419.db2.gz	UDWFNQSHOXOTGW-ZIAGYGMSSA-N	2	2	282.432	1.286	50	30		CDEALP
C[C@H](CNC(=[NH2+])N1CCCCCC1)[N@H+]1CCOC[C@H]1C	ZINC000253370638	342416420	/nfs/dbraw/zinc/41/64/20/342416420.db2.gz	UDWFNQSHOXOTGW-ZIAGYGMSSA-N	2	2	282.432	1.286	50	30		CDEALP
C=C(C)C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1	ZINC000264507935	359312638	/nfs/dbraw/zinc/31/26/38/359312638.db2.gz	SGZXPXXKDIBTRD-UHFFFAOYSA-N	2	2	276.384	1.430	50	30		CDEALP
C[NH+]1CCN(N=Cc2ccc(-n3cc[nH+]c3)cc2)CC1	ZINC000254757903	375465147	/nfs/dbraw/zinc/46/51/47/375465147.db2.gz	DYBBYRGZFCGNTC-UHFFFAOYSA-N	2	2	269.352	1.454	50	30		CDEALP
CC[NH+](CC)[C@H](CNC(NC)=[NH+]C)c1ccsc1	ZINC000097199643	375153015	/nfs/dbraw/zinc/15/30/15/375153015.db2.gz	LZLKZOBOWDDLAC-GFCCVEGCSA-N	2	2	268.430	1.926	50	30		CDEALP
[NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCCCC1	ZINC000097015394	185152240	/nfs/dbraw/zinc/15/22/40/185152240.db2.gz	MENHEYNTWNHENP-UHFFFAOYSA-N	2	2	289.427	1.953	50	30		CDEALP
N#Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000096424605	390516403	/nfs/dbraw/zinc/51/64/03/390516403.db2.gz	OQPIAQSJCRYXOT-HNNXBMFYSA-N	2	2	285.391	1.712	50	30		CDEALP
N#Cc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000096424605	390516405	/nfs/dbraw/zinc/51/64/05/390516405.db2.gz	OQPIAQSJCRYXOT-HNNXBMFYSA-N	2	2	285.391	1.712	50	30		CDEALP
N#CCC[C@@H](C#N)C[NH+]1CCC(n2cc[nH+]c2)CC1	ZINC000084613322	362269027	/nfs/dbraw/zinc/26/90/27/362269027.db2.gz	JHUZFSHFMZEQGI-ZDUSSCGKSA-N	2	2	257.341	1.964	50	30		CDEALP
CC1(C)NC(=[NH2+])NC(Nc2ccc(F)c(F)c2)=[NH+]1	ZINC000000203722	355896640	/nfs/dbraw/zinc/89/66/40/355896640.db2.gz	NPBPEOKBZOZQLC-UHFFFAOYSA-N	2	2	253.256	1.406	50	30		CDEALP
C/C(=N\O)C(=O)C(C[NH+]1CCCCC1)C[NH+]1CCCCC1	ZINC000004755840	390845629	/nfs/dbraw/zinc/84/56/29/390845629.db2.gz	DIOOSUUGLJQHEO-SAPNQHFASA-N	2	2	295.427	1.994	50	30		CDEALP
C[NH+](C)C1(CNc2cc(C#N)ccn2)CC[NH+](C)CC1	ZINC000670449215	483006717	/nfs/dbraw/zinc/00/67/17/483006717.db2.gz	XPNGIIOOJWPLIS-UHFFFAOYSA-N	2	2	273.384	1.391	50	30		CDEALP
C=CC[N@H+]1CC[C@H](CNc2nc(N(C)C)c(C)c[nH+]2)C1	ZINC000065409687	363119625	/nfs/dbraw/zinc/11/96/25/363119625.db2.gz	MKXCMCQMJBAQAH-CYBMUJFWSA-N	2	2	275.400	1.771	50	30		CDEALP
C=CC[N@@H+]1CC[C@H](CNc2nc(N(C)C)c(C)c[nH+]2)C1	ZINC000065409687	363119632	/nfs/dbraw/zinc/11/96/32/363119632.db2.gz	MKXCMCQMJBAQAH-CYBMUJFWSA-N	2	2	275.400	1.771	50	30		CDEALP
CCn1cc(C[N@@H+]2CCc3[nH+]c(C)[nH]c3C2)cc1C#N	ZINC000584901407	355956614	/nfs/dbraw/zinc/95/66/14/355956614.db2.gz	CIGLTDDSKOSPRI-UHFFFAOYSA-N	2	2	269.352	1.970	50	30		CDEALP
CCn1cc(C[N@H+]2CCc3[nH+]c(C)[nH]c3C2)cc1C#N	ZINC000584901407	355956617	/nfs/dbraw/zinc/95/66/17/355956617.db2.gz	CIGLTDDSKOSPRI-UHFFFAOYSA-N	2	2	269.352	1.970	50	30		CDEALP
[NH2+]=C1NC(Nc2cccc(F)c2)=[NH+]C2(CCCCC2)N1	ZINC000000203736	355896525	/nfs/dbraw/zinc/89/65/25/355896525.db2.gz	KWBDGZKWWSOTIF-UHFFFAOYSA-N	2	2	275.331	1.981	50	30		CDEALP
N#Cc1cccc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1	ZINC000077392359	283205539	/nfs/dbraw/zinc/20/55/39/283205539.db2.gz	DGDQRXYULVTELZ-GOSISDBHSA-N	2	2	299.418	1.981	50	30		CDEALP
N#Cc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1	ZINC000077392359	283205542	/nfs/dbraw/zinc/20/55/42/283205542.db2.gz	DGDQRXYULVTELZ-GOSISDBHSA-N	2	2	299.418	1.981	50	30		CDEALP
C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1CO	ZINC000091985394	180298516	/nfs/dbraw/zinc/29/85/16/180298516.db2.gz	YCWWNXNRRFWDEH-HZPDHXFCSA-N	2	2	273.380	1.160	50	30		CDEALP
C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1CO	ZINC000091985394	180298518	/nfs/dbraw/zinc/29/85/18/180298518.db2.gz	YCWWNXNRRFWDEH-HZPDHXFCSA-N	2	2	273.380	1.160	50	30		CDEALP
C=CC[N@@H+]1CCC[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2	ZINC000067954379	356962243	/nfs/dbraw/zinc/96/22/43/356962243.db2.gz	UDKOZPMJFGDYCX-LBPRGKRZSA-N	2	2	274.368	1.808	50	30		CDEALP
C=CC[N@H+]1CCC[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2	ZINC000067954379	356962246	/nfs/dbraw/zinc/96/22/46/356962246.db2.gz	UDKOZPMJFGDYCX-LBPRGKRZSA-N	2	2	274.368	1.808	50	30		CDEALP
C=CCC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1	ZINC000183805222	362299902	/nfs/dbraw/zinc/29/99/02/362299902.db2.gz	DLIHIZLJBQXWQL-AWEZNQCLSA-N	2	2	276.384	1.234	50	30		CDEALP
Cc1c(C[N@@H+]2CCOC[C@H](C[NH+](C)C)C2)cc(C#N)n1C	ZINC000670472867	483082303	/nfs/dbraw/zinc/08/23/03/483082303.db2.gz	DEFBFVJJGKAZNC-CQSZACIVSA-N	2	2	290.411	1.215	50	30		CDEALP
Cc1c(C[N@H+]2CCOC[C@H](C[NH+](C)C)C2)cc(C#N)n1C	ZINC000670472867	483082307	/nfs/dbraw/zinc/08/23/07/483082307.db2.gz	DEFBFVJJGKAZNC-CQSZACIVSA-N	2	2	290.411	1.215	50	30		CDEALP
C=CCC[C@H](O)C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1	ZINC000096473653	527491699	/nfs/dbraw/zinc/49/16/99/527491699.db2.gz	NCFXELVKEXSTBR-ZDUSSCGKSA-N	2	2	297.468	1.813	50	30		CDEALP
C[NH+]=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1CC1	ZINC000089597920	934804247	/nfs/dbraw/zinc/80/42/47/934804247.db2.gz	TTXQOHCNHGSWKK-UHFFFAOYSA-N	2	2	283.379	1.759	50	30		CDEALP
C=CC[NH+]1CCC([NH2+]C2CCN(C(=O)OCC)CC2)CC1	ZINC000089152514	360163643	/nfs/dbraw/zinc/16/36/43/360163643.db2.gz	AILGTDWWKXFBLQ-UHFFFAOYSA-N	2	2	295.427	1.847	50	30		CDEALP
CNC(NC[C@H](c1ccccc1OC)[NH+](C)C)=[NH+]C	ZINC000097199637	375153387	/nfs/dbraw/zinc/15/33/87/375153387.db2.gz	JYYQFAHOSSTQMU-GFCCVEGCSA-N	2	2	264.373	1.093	50	30		CDEALP
CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C#N)n(C)c1C	ZINC000023248806	358466710	/nfs/dbraw/zinc/46/67/10/358466710.db2.gz	VLVOPXKEJDMYJW-AWEZNQCLSA-N	2	2	260.385	1.779	50	30		CDEALP
CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C#N)n(C)c1C	ZINC000023248806	358466714	/nfs/dbraw/zinc/46/67/14/358466714.db2.gz	VLVOPXKEJDMYJW-AWEZNQCLSA-N	2	2	260.385	1.779	50	30		CDEALP
C=CCn1cc(C[N@@H+]2CCO[C@@H](CC[NH+](C)C)C2)c(C)n1	ZINC000011934984	390839261	/nfs/dbraw/zinc/83/92/61/390839261.db2.gz	CPEDBMIVDAFIOH-INIZCTEOSA-N	2	2	292.427	1.530	50	30		CDEALP
C=CCn1cc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)c(C)n1	ZINC000011934984	390839263	/nfs/dbraw/zinc/83/92/63/390839263.db2.gz	CPEDBMIVDAFIOH-INIZCTEOSA-N	2	2	292.427	1.530	50	30		CDEALP
N#Cc1cc(C[N@H+]2CC[C@](O)(C[NH+]3CCCCC3)C2)c[nH]1	ZINC000077426692	177265931	/nfs/dbraw/zinc/26/59/31/177265931.db2.gz	WAPLBHJXMUIEFG-INIZCTEOSA-N	2	2	288.395	1.309	50	30		CDEALP
N#Cc1cc(C[N@@H+]2CC[C@](O)(C[NH+]3CCCCC3)C2)c[nH]1	ZINC000077426692	177265933	/nfs/dbraw/zinc/26/59/33/177265933.db2.gz	WAPLBHJXMUIEFG-INIZCTEOSA-N	2	2	288.395	1.309	50	30		CDEALP
CO/[NH+]=C/c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000004049809	283706858	/nfs/dbraw/zinc/70/68/58/283706858.db2.gz	SARALIBROBXNDE-GXDHUFHOSA-N	2	2	278.312	1.327	50	30		CDEALP
COCC[N@H+](C)CCCNc1cc(C)[nH+]c(C)c1C#N	ZINC000095972252	375045330	/nfs/dbraw/zinc/04/53/30/375045330.db2.gz	WBMGAXAZXDOWRH-UHFFFAOYSA-N	2	2	276.384	1.950	50	30		CDEALP
COCC[N@@H+](C)CCCNc1cc(C)[nH+]c(C)c1C#N	ZINC000095972252	375045332	/nfs/dbraw/zinc/04/53/32/375045332.db2.gz	WBMGAXAZXDOWRH-UHFFFAOYSA-N	2	2	276.384	1.950	50	30		CDEALP
CN(C)C(=[NH+]CCCCNc1cccc[nH+]1)N(C)C	ZINC000095948360	358797296	/nfs/dbraw/zinc/79/72/96/358797296.db2.gz	ABDWMDFLABFPNA-UHFFFAOYSA-N	2	2	263.389	1.753	50	30		CDEALP
C[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(C#N)c2)C1	ZINC000092081063	180319701	/nfs/dbraw/zinc/31/97/01/180319701.db2.gz	URGDUEOYPAMZOJ-SJORKVTESA-N	2	2	287.407	1.550	50	30		CDEALP
C[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000092081063	180319704	/nfs/dbraw/zinc/31/97/04/180319704.db2.gz	URGDUEOYPAMZOJ-SJORKVTESA-N	2	2	287.407	1.550	50	30		CDEALP
COc1ccc2[nH]cc(CC[NH2+]CC[NH2+]CCS)c2c1	ZINC000032451079	375953171	/nfs/dbraw/zinc/95/31/71/375953171.db2.gz	WVYXTZQWVFUGLW-UHFFFAOYSA-N	2	2	293.436	1.828	50	30	biogenic	CDEALP
Cc1cc(N2CCC([NH2+]CCO)CC2)c(C#N)c(C)[nH+]1	ZINC000095977029	375047370	/nfs/dbraw/zinc/04/73/70/375047370.db2.gz	WRMDOXZYKAZLLU-UHFFFAOYSA-N	2	2	274.368	1.121	50	30		CDEALP
c1cc2cc(NC3=[NH+]CCN3C3=[NH+]CCN3)ccc2[nH]1	ZINC000096027937	275065819	/nfs/dbraw/zinc/06/58/19/275065819.db2.gz	UPXFAPIUCBNHCF-UHFFFAOYSA-N	2	2	268.324	1.020	50	30		CDEALP
[NH2+]=C1NC(Nc2ccc(F)cc2)=[NH+]C2(CCCC2)N1	ZINC000000203786	283269855	/nfs/dbraw/zinc/26/98/55/283269855.db2.gz	UZHGCEHLCCUPBC-UHFFFAOYSA-N	2	2	261.304	1.801	50	30		CDEALP
C=CCN[C@H]([NH3+])SCCCCS[C@@H]([NH3+])NCC=C	ZINC000019324050	364074103	/nfs/dbraw/zinc/07/41/03/364074103.db2.gz	PNURLCSKFYRWSU-RYUDHWBXSA-N	2	2	290.502	1.269	50	30		CDEALP
Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)cc1C#N	ZINC000584895422	349356120	/nfs/dbraw/zinc/35/61/20/349356120.db2.gz	UKPXJMKFOHDVMC-KGLIPLIRSA-N	2	2	258.369	1.565	50	30		CDEALP
Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)cc1C#N	ZINC000584895422	349356124	/nfs/dbraw/zinc/35/61/24/349356124.db2.gz	UKPXJMKFOHDVMC-KGLIPLIRSA-N	2	2	258.369	1.565	50	30		CDEALP
Cn1cc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1C#N	ZINC000584895422	349356127	/nfs/dbraw/zinc/35/61/27/349356127.db2.gz	UKPXJMKFOHDVMC-KGLIPLIRSA-N	2	2	258.369	1.565	50	30		CDEALP
Cn1cc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1C#N	ZINC000584895422	349356129	/nfs/dbraw/zinc/35/61/29/349356129.db2.gz	UKPXJMKFOHDVMC-KGLIPLIRSA-N	2	2	258.369	1.565	50	30		CDEALP
CC[N@H+](C)C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1CO	ZINC000092061497	180315235	/nfs/dbraw/zinc/31/52/35/180315235.db2.gz	PQBRBVBXKCPCPA-IAGOWNOFSA-N	2	2	287.407	1.550	50	30		CDEALP
CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1CO	ZINC000092061497	180315236	/nfs/dbraw/zinc/31/52/36/180315236.db2.gz	PQBRBVBXKCPCPA-IAGOWNOFSA-N	2	2	287.407	1.550	50	30		CDEALP
CC[NH+](C)C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1CO	ZINC000092061497	180315237	/nfs/dbraw/zinc/31/52/37/180315237.db2.gz	PQBRBVBXKCPCPA-IAGOWNOFSA-N	2	2	287.407	1.550	50	30		CDEALP
CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1CO	ZINC000092061497	180315239	/nfs/dbraw/zinc/31/52/39/180315239.db2.gz	PQBRBVBXKCPCPA-IAGOWNOFSA-N	2	2	287.407	1.550	50	30		CDEALP
Cc1c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C#N)n1C	ZINC000584884545	349342090	/nfs/dbraw/zinc/34/20/90/349342090.db2.gz	ZWBKBCUIPGKVSR-OKILXGFUSA-N	2	2	258.369	1.199	50	30		CDEALP
Cc1c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C#N)n1C	ZINC000584884545	349342093	/nfs/dbraw/zinc/34/20/93/349342093.db2.gz	ZWBKBCUIPGKVSR-OKILXGFUSA-N	2	2	258.369	1.199	50	30		CDEALP
Cc1c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc(C#N)n1C	ZINC000584884545	349342095	/nfs/dbraw/zinc/34/20/95/349342095.db2.gz	ZWBKBCUIPGKVSR-OKILXGFUSA-N	2	2	258.369	1.199	50	30		CDEALP
Cc1c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc(C#N)n1C	ZINC000584884545	349342097	/nfs/dbraw/zinc/34/20/97/349342097.db2.gz	ZWBKBCUIPGKVSR-OKILXGFUSA-N	2	2	258.369	1.199	50	30		CDEALP
[NH2+]=C1NC(Nc2ccccc2)=[NH+][C@@H](c2ccccc2)N1	ZINC000018189380	374125430	/nfs/dbraw/zinc/12/54/30/374125430.db2.gz	NKJHASFCPTYAIR-ZDUSSCGKSA-N	2	2	265.320	1.880	50	30		CDEALP
C[NH+]1CCN(C2=[NH+]C3(CCCCC3)C(C#N)C(=O)N2)CC1	ZINC000013693423	356353854	/nfs/dbraw/zinc/35/38/54/356353854.db2.gz	RAKSFSUYGPSHLQ-LBPRGKRZSA-N	2	2	289.383	1.403	50	30		CDEALP
C=C(Cl)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000096483334	526885122	/nfs/dbraw/zinc/88/51/22/526885122.db2.gz	SRDTWXNMCXSLPY-UHFFFAOYSA-N	2	2	299.846	1.615	50	30		CDEALP
Cc1ccc(C(=O)NC(=[NH2+])NC(=[NH2+])N2CCOCC2)cc1	ZINC000032611738	359235249	/nfs/dbraw/zinc/23/52/49/359235249.db2.gz	TYCWXBBNUYUQKO-UHFFFAOYSA-N	2	2	289.339	1.091	50	30		CDEALP
CC1(C)NC(=[NH2+])NC(Nc2cccc(Br)c2)=[NH+]1	ZINC000019331645	356481227	/nfs/dbraw/zinc/48/12/27/356481227.db2.gz	ODCAEXNEGXTNBY-UHFFFAOYSA-N	2	2	296.172	1.890	50	30		CDEALP
CCC[NH+]1CCC([NH+]2CCN([C@@H](C)C#N)CC2)CC1	ZINC000195559615	342628469	/nfs/dbraw/zinc/62/84/69/342628469.db2.gz	AIVXCCMMYANYHR-AWEZNQCLSA-N	2	2	264.417	1.390	50	30		CDEALP
C=CCc1c(C)[nH+]c(N)nc1N(C)Cc1[nH]cc[nH+]1	ZINC000091998164	180302708	/nfs/dbraw/zinc/30/27/08/180302708.db2.gz	VEVVKDKXDVHTNO-UHFFFAOYSA-N	2	2	258.329	1.455	50	30		CDEALP
N#Cc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000096424604	390515986	/nfs/dbraw/zinc/51/59/86/390515986.db2.gz	OQPIAQSJCRYXOT-OAHLLOKOSA-N	2	2	285.391	1.712	50	30		CDEALP
N#Cc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000096424604	390515992	/nfs/dbraw/zinc/51/59/92/390515992.db2.gz	OQPIAQSJCRYXOT-OAHLLOKOSA-N	2	2	285.391	1.712	50	30		CDEALP
C[NH+]1CCC([NH+]2CCN(c3ncccc3C#N)CC2)CC1	ZINC000065462556	536339516	/nfs/dbraw/zinc/33/95/16/536339516.db2.gz	FAYJKIOYXITBDH-UHFFFAOYSA-N	2	2	285.395	1.169	50	30		CDEALP
C=CCn1c2ccccc2n(CC[NH+]2CCOCC2)c1=[NH2+]	ZINC000000975722	362480592	/nfs/dbraw/zinc/48/05/92/362480592.db2.gz	OQSHKSQVHSNFLJ-UHFFFAOYSA-N	2	2	286.379	1.440	50	30		CDEALP
C[N@H+](CCn1cc[nH+]c1)Cc1ccc(C#CCO)cc1	ZINC000215080296	372824326	/nfs/dbraw/zinc/82/43/26/372824326.db2.gz	OKRYPYBRBZVIPF-UHFFFAOYSA-N	2	2	269.348	1.359	50	30		CDEALP
C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C#CCO)cc1	ZINC000215080296	372824334	/nfs/dbraw/zinc/82/43/34/372824334.db2.gz	OKRYPYBRBZVIPF-UHFFFAOYSA-N	2	2	269.348	1.359	50	30		CDEALP
CCn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1C#N	ZINC000670440013	482984475	/nfs/dbraw/zinc/98/44/75/482984475.db2.gz	QYUQZKYGXCOBOT-CYBMUJFWSA-N	2	2	260.385	1.763	50	30		CDEALP
CCn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C#N	ZINC000670440013	482984479	/nfs/dbraw/zinc/98/44/79/482984479.db2.gz	QYUQZKYGXCOBOT-CYBMUJFWSA-N	2	2	260.385	1.763	50	30		CDEALP
C[C@H](CNC(=[NH2+])N1CCCCCC1)[N@@H+]1CCOC[C@@H]1C	ZINC000195539990	342626616	/nfs/dbraw/zinc/62/66/16/342626616.db2.gz	UDWFNQSHOXOTGW-KGLIPLIRSA-N	2	2	282.432	1.286	50	30		CDEALP
C[C@H](CNC(=[NH2+])N1CCCCCC1)[N@H+]1CCOC[C@@H]1C	ZINC000195539990	342626617	/nfs/dbraw/zinc/62/66/17/342626617.db2.gz	UDWFNQSHOXOTGW-KGLIPLIRSA-N	2	2	282.432	1.286	50	30		CDEALP
O=c1[nH]c([NH2+]Nc2[nH+]cnc3ccccc32)cs1	ZINC000016777202	366913971	/nfs/dbraw/zinc/91/39/71/366913971.db2.gz	VNIVZLJKEQGZFF-UHFFFAOYSA-N	2	2	259.294	1.812	50	30		CDEALP
CNC(NC[C@@H](c1ccccc1OC)[NH+](C)C)=[NH+]C	ZINC000097199636	375153456	/nfs/dbraw/zinc/15/34/56/375153456.db2.gz	JYYQFAHOSSTQMU-LBPRGKRZSA-N	2	2	264.373	1.093	50	30		CDEALP
OCC#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000097637833	378540528	/nfs/dbraw/zinc/54/05/28/378540528.db2.gz	DUZUZQFUSQBOHN-SJORKVTESA-N	2	2	270.376	1.357	50	30		CDEALP
OCC#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000097637833	378540533	/nfs/dbraw/zinc/54/05/33/378540533.db2.gz	DUZUZQFUSQBOHN-SJORKVTESA-N	2	2	270.376	1.357	50	30		CDEALP
C=CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC)CC2)CC1	ZINC000952981700	613707349	/nfs/dbraw/zinc/70/73/49/613707349.db2.gz	OUKLXSQOGXBYPE-UHFFFAOYSA-N	2	2	293.455	1.829	50	30		CDEALP
N#CCCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000096424599	390515933	/nfs/dbraw/zinc/51/59/33/390515933.db2.gz	RDERHQVOVKGJIW-AWEZNQCLSA-N	2	2	251.374	1.334	50	30		CDEALP
N#CCCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000096424599	390515935	/nfs/dbraw/zinc/51/59/35/390515935.db2.gz	RDERHQVOVKGJIW-AWEZNQCLSA-N	2	2	251.374	1.334	50	30		CDEALP
COc1cccc(NC2=[NH+]C3(CCCC3)NC(=[NH2+])N2)c1	ZINC000002482866	355971192	/nfs/dbraw/zinc/97/11/92/355971192.db2.gz	VYJMCHWETYPVLI-UHFFFAOYSA-N	2	2	273.340	1.461	50	30		CDEALP
C[C@@H](CNC(=[NH2+])N1CCCCCC1)[N@@H+]1CCOC[C@H]1C	ZINC000097228068	342204819	/nfs/dbraw/zinc/20/48/19/342204819.db2.gz	UDWFNQSHOXOTGW-UONOGXRCSA-N	2	2	282.432	1.286	50	30		CDEALP
C[C@@H](CNC(=[NH2+])N1CCCCCC1)[N@H+]1CCOC[C@H]1C	ZINC000097228068	342204820	/nfs/dbraw/zinc/20/48/20/342204820.db2.gz	UDWFNQSHOXOTGW-UONOGXRCSA-N	2	2	282.432	1.286	50	30		CDEALP
CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCOCC1)c1ccco1	ZINC000095948340	362622766	/nfs/dbraw/zinc/62/27/66/362622766.db2.gz	WWMXUZIDUAWWBI-ZDUSSCGKSA-N	2	2	294.399	1.309	50	30		CDEALP
C#CC[NH+]1CCC([NH2+]CC2(COC)CCC2)CC1	ZINC000311066344	898636587	/nfs/dbraw/zinc/63/65/87/898636587.db2.gz	JMLIDLKYRNMNNY-UHFFFAOYSA-N	2	2	250.386	1.490	50	30		CDEALP
COCC[NH+]=C1Nc2ccccc2NC12CC[NH2+]CC2	ZINC000032918785	326898327	/nfs/dbraw/zinc/89/83/27/326898327.db2.gz	XXKOROQLGIVSHA-UHFFFAOYSA-N	2	2	274.368	1.691	50	30		CDEALP
C[NH+](C)C1(CNc2ccc(C#N)cn2)CC[NH+](C)CC1	ZINC000670462627	483050322	/nfs/dbraw/zinc/05/03/22/483050322.db2.gz	VFQMKKOJFCTLJJ-UHFFFAOYSA-N	2	2	273.384	1.391	50	30		CDEALP
C[NH+](C)C[C@@]1(CO)CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000215320229	374286575	/nfs/dbraw/zinc/28/65/75/374286575.db2.gz	DUAWPLCUHRPAJF-KRWDZBQOSA-N	2	2	287.407	1.694	50	30		CDEALP
C[NH+](C)C[C@@]1(CO)CCC[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000215320229	374286582	/nfs/dbraw/zinc/28/65/82/374286582.db2.gz	DUAWPLCUHRPAJF-KRWDZBQOSA-N	2	2	287.407	1.694	50	30		CDEALP
C=CCn1c(C[NH3+])nnc1SCc1c[nH+]cn1C(C)C	ZINC000827474261	925941225	/nfs/dbraw/zinc/94/12/25/925941225.db2.gz	LIVLWPNZMPTSAA-UHFFFAOYSA-N	2	2	292.412	1.993	50	30		CDEALP
C[C@@H](CNC(=[NH2+])N1CCCCCC1)[N@@H+]1CCOC[C@@H]1C	ZINC000097228070	342204891	/nfs/dbraw/zinc/20/48/91/342204891.db2.gz	UDWFNQSHOXOTGW-KBPBESRZSA-N	2	2	282.432	1.286	50	30		CDEALP
C[C@@H](CNC(=[NH2+])N1CCCCCC1)[N@H+]1CCOC[C@@H]1C	ZINC000097228070	342204892	/nfs/dbraw/zinc/20/48/92/342204892.db2.gz	UDWFNQSHOXOTGW-KBPBESRZSA-N	2	2	282.432	1.286	50	30		CDEALP
C=CCN[C@@H]([NH3+])SCCCCS[C@@H]([NH3+])NCC=C	ZINC000019324054	364074531	/nfs/dbraw/zinc/07/45/31/364074531.db2.gz	PNURLCSKFYRWSU-TXEJJXNPSA-N	2	2	290.502	1.269	50	30		CDEALP
N#Cc1cc(C[N@H+]2CC[C@@](O)(C[NH+]3CCCCC3)C2)c[nH]1	ZINC000077426695	177266008	/nfs/dbraw/zinc/26/60/08/177266008.db2.gz	WAPLBHJXMUIEFG-MRXNPFEDSA-N	2	2	288.395	1.309	50	30		CDEALP
N#Cc1cc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCCCC3)C2)c[nH]1	ZINC000077426695	177266010	/nfs/dbraw/zinc/26/60/10/177266010.db2.gz	WAPLBHJXMUIEFG-MRXNPFEDSA-N	2	2	288.395	1.309	50	30		CDEALP
C=CCC(C)(C)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C(=O)N(CC)CC	ZINC000067725336	518686802	/nfs/dbraw/zinc/68/68/02/518686802.db2.gz	WNGJXFBYFVDJAD-KBPBESRZSA-N	2	2	281.444	1.859	50	30		CDEALP
C=CCC(C)(C)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C(=O)N(CC)CC	ZINC000067725336	518686807	/nfs/dbraw/zinc/68/68/07/518686807.db2.gz	WNGJXFBYFVDJAD-KBPBESRZSA-N	2	2	281.444	1.859	50	30		CDEALP
CC#CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000096499749	526364957	/nfs/dbraw/zinc/36/49/57/526364957.db2.gz	CPRQWORSYMTNTE-XYPWUTKMSA-N	2	2	261.413	1.253	50	30		CDEALP
CC#CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000096499749	526364960	/nfs/dbraw/zinc/36/49/60/526364960.db2.gz	CPRQWORSYMTNTE-XYPWUTKMSA-N	2	2	261.413	1.253	50	30		CDEALP
CC#CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000096499749	526364965	/nfs/dbraw/zinc/36/49/65/526364965.db2.gz	CPRQWORSYMTNTE-XYPWUTKMSA-N	2	2	261.413	1.253	50	30		CDEALP
CC#CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000096499749	526364971	/nfs/dbraw/zinc/36/49/71/526364971.db2.gz	CPRQWORSYMTNTE-XYPWUTKMSA-N	2	2	261.413	1.253	50	30		CDEALP
C=CCn1c(C[NH3+])nnc1SCCc1cccc(C)[nH+]1	ZINC000426433650	360527986	/nfs/dbraw/zinc/52/79/86/360527986.db2.gz	LTZNBGWUDVIMOL-UHFFFAOYSA-N	2	2	289.408	1.961	50	30		CDEALP
Cc1c(C[N@@H+]2CCOC[C@@H](C[NH+](C)C)C2)cc(C#N)n1C	ZINC000670472866	483082486	/nfs/dbraw/zinc/08/24/86/483082486.db2.gz	DEFBFVJJGKAZNC-AWEZNQCLSA-N	2	2	290.411	1.215	50	30		CDEALP
Cc1c(C[N@H+]2CCOC[C@@H](C[NH+](C)C)C2)cc(C#N)n1C	ZINC000670472866	483082493	/nfs/dbraw/zinc/08/24/93/483082493.db2.gz	DEFBFVJJGKAZNC-AWEZNQCLSA-N	2	2	290.411	1.215	50	30		CDEALP
C=CCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1	ZINC000183805207	518721270	/nfs/dbraw/zinc/72/12/70/518721270.db2.gz	DLIHIZLJBQXWQL-CQSZACIVSA-N	2	2	276.384	1.234	50	30		CDEALP
CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCOCC1)c1ccco1	ZINC000095948341	362622061	/nfs/dbraw/zinc/62/20/61/362622061.db2.gz	WWMXUZIDUAWWBI-CYBMUJFWSA-N	2	2	294.399	1.309	50	30		CDEALP
CN(C)C(=[NH+]CCc1[nH]c2ccccc2[nH+]1)N(C)C	ZINC000252483001	367567421	/nfs/dbraw/zinc/56/74/21/367567421.db2.gz	DSCVPZNGDPKRNM-UHFFFAOYSA-N	2	2	259.357	1.585	50	30		CDEALP