smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC(CCC)[NH2+]CC[NH+](C)C	19277375	537778901	/nfs/dbraw/zinc/77/89/01/537778901.db2.gz	ODSRYYXMLPBVQQ-UHFFFAOYSA-N	2	2	186.343	2.106	20	0		AEADLP
CC[C@@H](C)[C@H](C)[NH2+]CC[NH+]1CCCC1	20127074	537780423	/nfs/dbraw/zinc/78/04/23/537780423.db2.gz	NRUSYVAIECUGMZ-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@H](C)[NH2+]CC(C)(C)[NH+](C)C	20125934	537781351	/nfs/dbraw/zinc/78/13/51/537781351.db2.gz	AUKNYNWAGGFPDB-JTQLQIEISA-N	2	2	186.343	2.105	20	0		AEADLP
CC[C@@H](C)[C@@H](C)[NH2+]CC[NH+]1CCCC1	20127072	537781643	/nfs/dbraw/zinc/78/16/43/537781643.db2.gz	NRUSYVAIECUGMZ-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)[C@@H](C)[NH2+]CC[NH+]1CCCC1	20127073	537781713	/nfs/dbraw/zinc/78/17/13/537781713.db2.gz	NRUSYVAIECUGMZ-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C	20125933	537782858	/nfs/dbraw/zinc/78/28/58/537782858.db2.gz	AUKNYNWAGGFPDB-SNVBAGLBSA-N	2	2	186.343	2.105	20	0		AEADLP
CCC(CC)[NH2+]CC(C)(C)[NH+](C)C	20125785	537783036	/nfs/dbraw/zinc/78/30/36/537783036.db2.gz	ZAPCWAMMVYXOSS-UHFFFAOYSA-N	2	2	186.343	2.105	20	0		AEADLP
CC[C@H](C)[C@H](C)[NH2+]CC[NH+]1CCCC1	20127075	537783051	/nfs/dbraw/zinc/78/30/51/537783051.db2.gz	NRUSYVAIECUGMZ-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1	37153812	537807087	/nfs/dbraw/zinc/80/70/87/537807087.db2.gz	NJXHBJKZKUWOTF-NEPJUHHUSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1	37157645	537805280	/nfs/dbraw/zinc/80/52/80/537805280.db2.gz	UUSACGBWBZCFJH-WDEREUQCSA-N	2	2	195.310	2.050	20	0		AEADLP
CCC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1	37157641	537805299	/nfs/dbraw/zinc/80/52/99/537805299.db2.gz	UUSACGBWBZCFJH-QWRGUYRKSA-N	2	2	195.310	2.050	20	0		AEADLP
CC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1	37153816	537805384	/nfs/dbraw/zinc/80/53/84/537805384.db2.gz	NJXHBJKZKUWOTF-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1	37153818	537805738	/nfs/dbraw/zinc/80/57/38/537805738.db2.gz	NJXHBJKZKUWOTF-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1	37157643	537806464	/nfs/dbraw/zinc/80/64/64/537806464.db2.gz	UUSACGBWBZCFJH-GHMZBOCLSA-N	2	2	195.310	2.050	20	0		AEADLP
CCC(CC)[NH2+][C@H](C)Cn1cc[nH+]c1	37157910	537807195	/nfs/dbraw/zinc/80/71/95/537807195.db2.gz	IEHJHMINONNHSO-SNVBAGLBSA-N	2	2	195.310	2.050	20	0		AEADLP
CC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1	37153814	537807236	/nfs/dbraw/zinc/80/72/36/537807236.db2.gz	NJXHBJKZKUWOTF-RYUDHWBXSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1	37157639	537808124	/nfs/dbraw/zinc/80/81/24/537808124.db2.gz	UUSACGBWBZCFJH-MNOVXSKESA-N	2	2	195.310	2.050	20	0		AEADLP
CCC(CC)[NH2+][C@@H](C)Cn1cc[nH+]c1	37157908	537808611	/nfs/dbraw/zinc/80/86/11/537808611.db2.gz	IEHJHMINONNHSO-JTQLQIEISA-N	2	2	195.310	2.050	20	0		AEADLP
CCCC[C@@H](C)[NH2+]CC[NH+]1CCCC1	37228670	537809223	/nfs/dbraw/zinc/80/92/23/537809223.db2.gz	ZRZBOJUWWCFDMT-GFCCVEGCSA-N	2	2	198.354	2.251	20	0		AEADLP
CC[C@H]([NH2+]CC[NH+]1CCCC1)C(C)C	37228672	537809362	/nfs/dbraw/zinc/80/93/62/537809362.db2.gz	WAEVLMVLIPSFTF-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[C@H](C)[NH2+]CC[NH+]1CCCC1	37228671	537809858	/nfs/dbraw/zinc/80/98/58/537809858.db2.gz	ZRZBOJUWWCFDMT-LBPRGKRZSA-N	2	2	198.354	2.251	20	0		AEADLP
C[C@H]([NH2+]CC[NH+](C)C)C1CCCCC1	37184080	537812388	/nfs/dbraw/zinc/81/23/88/537812388.db2.gz	DIPXPRUVIRMJEK-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H]([NH2+]CC[NH+]1CCCC1)C(C)C	37228673	537812752	/nfs/dbraw/zinc/81/27/52/537812752.db2.gz	WAEVLMVLIPSFTF-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)[NH2+]CC[NH+]1CCCCCC1	37479880	537814060	/nfs/dbraw/zinc/81/40/60/537814060.db2.gz	OCSMXORQTURYRX-LBPRGKRZSA-N	2	2	198.354	2.251	20	0		AEADLP
CC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1	37479868	537814322	/nfs/dbraw/zinc/81/43/22/537814322.db2.gz	OJCZGLRWPLLALQ-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1	37479879	537814842	/nfs/dbraw/zinc/81/48/42/537814842.db2.gz	OCSMXORQTURYRX-GFCCVEGCSA-N	2	2	198.354	2.251	20	0		AEADLP
CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1	37479878	537815596	/nfs/dbraw/zinc/81/55/96/537815596.db2.gz	LYISHIFDHUPBCF-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1	37479878	537815601	/nfs/dbraw/zinc/81/56/01/537815601.db2.gz	LYISHIFDHUPBCF-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+][C@@H](C)CC	37479889	537816044	/nfs/dbraw/zinc/81/60/44/537816044.db2.gz	XASFHCLHGRLMRL-NSHDSACASA-N	2	2	186.343	2.106	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+][C@@H](C)CC	37479889	537816050	/nfs/dbraw/zinc/81/60/50/537816050.db2.gz	XASFHCLHGRLMRL-NSHDSACASA-N	2	2	186.343	2.106	20	0		AEADLP
CC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1	37479877	537817034	/nfs/dbraw/zinc/81/70/34/537817034.db2.gz	LYISHIFDHUPBCF-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1	37479877	537817039	/nfs/dbraw/zinc/81/70/39/537817039.db2.gz	LYISHIFDHUPBCF-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+]C1CCCC1	37482389	537817060	/nfs/dbraw/zinc/81/70/60/537817060.db2.gz	BWJJQOCGWRQVQO-UHFFFAOYSA-N	2	2	198.354	2.251	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+]C1CCCC1	37482389	537817066	/nfs/dbraw/zinc/81/70/66/537817066.db2.gz	BWJJQOCGWRQVQO-UHFFFAOYSA-N	2	2	198.354	2.251	20	0		AEADLP
CC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1	37479867	537817146	/nfs/dbraw/zinc/81/71/46/537817146.db2.gz	OJCZGLRWPLLALQ-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@H+](CC[NH2+]C1CCCC1)C1CC1	37482422	537817825	/nfs/dbraw/zinc/81/78/25/537817825.db2.gz	OOYZUHJYPFXRDJ-UHFFFAOYSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[N@@H+](CC[NH2+]C1CCCC1)C1CC1	37482422	537817834	/nfs/dbraw/zinc/81/78/34/537817834.db2.gz	OOYZUHJYPFXRDJ-UHFFFAOYSA-N	2	2	196.338	2.003	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+][C@H](C)CC	37479890	537817888	/nfs/dbraw/zinc/81/78/88/537817888.db2.gz	XASFHCLHGRLMRL-LLVKDONJSA-N	2	2	186.343	2.106	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+][C@H](C)CC	37479890	537817892	/nfs/dbraw/zinc/81/78/92/537817892.db2.gz	XASFHCLHGRLMRL-LLVKDONJSA-N	2	2	186.343	2.106	20	0		AEADLP
CCCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C	38087643	537824231	/nfs/dbraw/zinc/82/42/31/537824231.db2.gz	KRZQDKMYOONZBZ-GHMZBOCLSA-N	2	2	186.343	2.105	20	0		AEADLP
C[C@H](C[NH2+]CC1CCCCC1)[NH+](C)C	38088723	537824254	/nfs/dbraw/zinc/82/42/54/537824254.db2.gz	HBZHGNHIZGQDMH-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C	38087644	537825134	/nfs/dbraw/zinc/82/51/34/537825134.db2.gz	KRZQDKMYOONZBZ-WDEREUQCSA-N	2	2	186.343	2.105	20	0		AEADLP
C[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1	38088878	537826157	/nfs/dbraw/zinc/82/61/57/537826157.db2.gz	UVAWYUMOITVXMT-UTUOFQBUSA-N	2	2	198.354	2.105	20	0		AEADLP
CC1CCC([NH2+]C[C@@H](C)[NH+](C)C)CC1	38088976	537827453	/nfs/dbraw/zinc/82/74/53/537827453.db2.gz	KKZARUSHDFQBSN-MOENNCHZSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1	38088880	537827580	/nfs/dbraw/zinc/82/75/80/537827580.db2.gz	UVAWYUMOITVXMT-IJLUTSLNSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H](C[NH2+]C1CCCCCC1)[NH+](C)C	38088979	537831560	/nfs/dbraw/zinc/83/15/60/537831560.db2.gz	AEXYMJDXJSDVRB-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C	38089006	537829704	/nfs/dbraw/zinc/82/97/04/537829704.db2.gz	OCUXYOZLFMKBDL-IJLUTSLNSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C	38089004	537830718	/nfs/dbraw/zinc/83/07/18/537830718.db2.gz	OCUXYOZLFMKBDL-UTUOFQBUSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1	42302466	537839322	/nfs/dbraw/zinc/83/93/22/537839322.db2.gz	CGPJGZITOQCKCQ-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1	42302466	537839332	/nfs/dbraw/zinc/83/93/32/537839332.db2.gz	CGPJGZITOQCKCQ-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1	41050963	537840186	/nfs/dbraw/zinc/84/01/86/537840186.db2.gz	DMDADSPKOZADQE-LLVKDONJSA-N	2	2	195.310	2.051	20	0		AEADLP
CC1CC[NH+](CC[NH2+]C(C)(C)C)CC1	41209521	537842318	/nfs/dbraw/zinc/84/23/18/537842318.db2.gz	CQVFLSVBKUWKNI-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[C@H](C)[NH2+]CCn1cc[nH+]c1	41050964	537842336	/nfs/dbraw/zinc/84/23/36/537842336.db2.gz	DMDADSPKOZADQE-NSHDSACASA-N	2	2	195.310	2.051	20	0		AEADLP
C[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1	42302463	537843466	/nfs/dbraw/zinc/84/34/66/537843466.db2.gz	CGPJGZITOQCKCQ-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1	42302463	537843471	/nfs/dbraw/zinc/84/34/71/537843471.db2.gz	CGPJGZITOQCKCQ-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1	44684310	537851534	/nfs/dbraw/zinc/85/15/34/537851534.db2.gz	OKXNKITYQRPNKD-LLVKDONJSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC(CC)[NH2+][C@@H]1CC[N@H+](C2CC2)C1	44684310	537851537	/nfs/dbraw/zinc/85/15/37/537851537.db2.gz	OKXNKITYQRPNKD-LLVKDONJSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC(CC)[NH2+][C@H]1CC[N@@H+](C2CC2)C1	44684313	537853621	/nfs/dbraw/zinc/85/36/21/537853621.db2.gz	OKXNKITYQRPNKD-NSHDSACASA-N	2	2	196.338	2.001	20	0		AEADLP
CCC(CC)[NH2+][C@H]1CC[N@H+](C2CC2)C1	44684313	537853625	/nfs/dbraw/zinc/85/36/25/537853625.db2.gz	OKXNKITYQRPNKD-NSHDSACASA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+]CC1CCCCC1	159075388	538030399	/nfs/dbraw/zinc/03/03/99/538030399.db2.gz	KHUBSOAYOZJNKD-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@H]1[NH2+]CCC[C@@H]1[NH+]1CCCCCC1	160569851	538045949	/nfs/dbraw/zinc/04/59/49/538045949.db2.gz	BFBQMVQRTPRCES-NEPJUHHUSA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@H]1[NH+]1CCCCCC1	160569714	538046076	/nfs/dbraw/zinc/04/60/76/538046076.db2.gz	BFBQMVQRTPRCES-NWDGAFQWSA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@@H]1[NH+]1CCCCCC1	160569978	538046342	/nfs/dbraw/zinc/04/63/42/538046342.db2.gz	BFBQMVQRTPRCES-RYUDHWBXSA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@H]1[NH2+]CCC[C@H]1[NH+]1CCCCCC1	160569581	538046790	/nfs/dbraw/zinc/04/67/90/538046790.db2.gz	BFBQMVQRTPRCES-VXGBXAGGSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1	165150231	538148543	/nfs/dbraw/zinc/14/85/43/538148543.db2.gz	NROVVRRGIPLJJQ-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC(CC)[NH2+]CC1([NH+](C)C)CCC1	165178613	538148814	/nfs/dbraw/zinc/14/88/14/538148814.db2.gz	HQBPDHIGFRSOJG-UHFFFAOYSA-N	2	2	198.354	2.249	20	0		AEADLP
CC(C)[C@H](C)[NH2+]CC1([NH+](C)C)CCC1	165178976	538149224	/nfs/dbraw/zinc/14/92/24/538149224.db2.gz	FDPDZWOXXDICLY-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
C[NH+](C)C1(C[NH2+]CC(C)(C)C)CCC1	165151433	538149429	/nfs/dbraw/zinc/14/94/29/538149429.db2.gz	UKIQUJVXYPANBV-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
C[NH+](C)C1(C[NH2+]C2CCCC2)CCC1	165147921	538150786	/nfs/dbraw/zinc/15/07/86/538150786.db2.gz	HURLPSDXCVYCPI-UHFFFAOYSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[C@H](C)C[NH2+]CC1([NH+](C)C)CCC1	165167181	538150822	/nfs/dbraw/zinc/15/08/22/538150822.db2.gz	MTEIWNVOJWJDLO-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)C[NH2+]CC1([NH+](C)C)CCC1	165167066	538150955	/nfs/dbraw/zinc/15/09/55/538150955.db2.gz	MTEIWNVOJWJDLO-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1	165178851	538150991	/nfs/dbraw/zinc/15/09/91/538150991.db2.gz	FDPDZWOXXDICLY-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[C@H](C)[NH2+]CC1([NH+](C)C)CCC1	165150334	538151410	/nfs/dbraw/zinc/15/14/10/538151410.db2.gz	NROVVRRGIPLJJQ-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
CC(C)[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1	167359853	538167705	/nfs/dbraw/zinc/16/77/05/538167705.db2.gz	CPARZCZITFATGV-QWRGUYRKSA-N	2	2	198.354	2.103	20	0		AEADLP
CC(C)[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1	167359853	538167711	/nfs/dbraw/zinc/16/77/11/538167711.db2.gz	CPARZCZITFATGV-QWRGUYRKSA-N	2	2	198.354	2.103	20	0		AEADLP
CC(C)[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1	167359752	538167980	/nfs/dbraw/zinc/16/79/80/538167980.db2.gz	CPARZCZITFATGV-WDEREUQCSA-N	2	2	198.354	2.103	20	0		AEADLP
CC(C)[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1	167359752	538167989	/nfs/dbraw/zinc/16/79/89/538167989.db2.gz	CPARZCZITFATGV-WDEREUQCSA-N	2	2	198.354	2.103	20	0		AEADLP
CC(C)[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1	167359639	538170568	/nfs/dbraw/zinc/17/05/68/538170568.db2.gz	CPARZCZITFATGV-MNOVXSKESA-N	2	2	198.354	2.103	20	0		AEADLP
CC(C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1	167359639	538170572	/nfs/dbraw/zinc/17/05/72/538170572.db2.gz	CPARZCZITFATGV-MNOVXSKESA-N	2	2	198.354	2.103	20	0		AEADLP
CC(C)[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1	167359536	538170681	/nfs/dbraw/zinc/17/06/81/538170681.db2.gz	CPARZCZITFATGV-GHMZBOCLSA-N	2	2	198.354	2.103	20	0		AEADLP
CC(C)[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1	167359536	538170688	/nfs/dbraw/zinc/17/06/88/538170688.db2.gz	CPARZCZITFATGV-GHMZBOCLSA-N	2	2	198.354	2.103	20	0		AEADLP
CCC[C@@H](CC)[NH2+][C@@H](C)C[NH+](C)C	233287911	538233147	/nfs/dbraw/zinc/23/31/47/538233147.db2.gz	GKFMNLFQEMAEEM-WDEREUQCSA-N	2	2	186.343	2.105	20	0		AEADLP
CCC[C@H](CC)[NH2+][C@@H](C)C[NH+](C)C	233346789	538234567	/nfs/dbraw/zinc/23/45/67/538234567.db2.gz	GKFMNLFQEMAEEM-QWRGUYRKSA-N	2	2	186.343	2.105	20	0		AEADLP
CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C	252709468	538270321	/nfs/dbraw/zinc/27/03/21/538270321.db2.gz	CYEDUDYEQBVKPF-QJPTWQEYSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C	252709469	538270698	/nfs/dbraw/zinc/27/06/98/538270698.db2.gz	CYEDUDYEQBVKPF-TUAOUCFPSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)CCC1CC[NH+](CC[NH3+])CC1	259212413	538291070	/nfs/dbraw/zinc/29/10/70/538291070.db2.gz	SUJYVMVHFARKMU-UHFFFAOYSA-N	2	2	198.354	2.093	20	0		AEADLP
CC[C@H](C)C[NH2+]C1(C[NH+](C)C)CCC1	379580700	538418276	/nfs/dbraw/zinc/41/82/76/538418276.db2.gz	ZNBMLXSXUVSLLT-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)C[NH2+]C1(C[NH+](C)C)CCC1	379580699	538418671	/nfs/dbraw/zinc/41/86/71/538418671.db2.gz	ZNBMLXSXUVSLLT-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
C[NH+](C)C(C)(C)C[NH2+]C1CC(C)(C)C1	379598990	538419738	/nfs/dbraw/zinc/41/97/38/538419738.db2.gz	ILQRJUHGEANTHO-UHFFFAOYSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1	379596865	538419780	/nfs/dbraw/zinc/41/97/80/538419780.db2.gz	FZDHJGJLJHOOGS-GFCCVEGCSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1	379596865	538419784	/nfs/dbraw/zinc/41/97/84/538419784.db2.gz	FZDHJGJLJHOOGS-GFCCVEGCSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1	379596867	538420792	/nfs/dbraw/zinc/42/07/92/538420792.db2.gz	FZDHJGJLJHOOGS-LBPRGKRZSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1	379596867	538420795	/nfs/dbraw/zinc/42/07/95/538420795.db2.gz	FZDHJGJLJHOOGS-LBPRGKRZSA-N	2	2	196.338	2.001	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+]CC1(C)CC1	379603310	538421411	/nfs/dbraw/zinc/42/14/11/538421411.db2.gz	NSKPFEBFLJHNHN-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+]CC1(C)CC1	379603310	538421414	/nfs/dbraw/zinc/42/14/14/538421414.db2.gz	NSKPFEBFLJHNHN-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+]C1CC(C)(C)C1	379605827	538421823	/nfs/dbraw/zinc/42/18/23/538421823.db2.gz	QAEGKIKPXPFOTA-UHFFFAOYSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+]C1CC(C)(C)C1	379605827	538421825	/nfs/dbraw/zinc/42/18/25/538421825.db2.gz	QAEGKIKPXPFOTA-UHFFFAOYSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@@H](C)C1CCC1	379606381	538422354	/nfs/dbraw/zinc/42/23/54/538422354.db2.gz	QKGWIYBZSKUFAC-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCC1	379606381	538422356	/nfs/dbraw/zinc/42/23/56/538422356.db2.gz	QKGWIYBZSKUFAC-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@H](C)C1CCC1	379606380	538422399	/nfs/dbraw/zinc/42/23/99/538422399.db2.gz	QKGWIYBZSKUFAC-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@H](C)C1CCC1	379606380	538422400	/nfs/dbraw/zinc/42/24/00/538422400.db2.gz	QKGWIYBZSKUFAC-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC1=CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)CC1	379618016	538423005	/nfs/dbraw/zinc/42/30/05/538423005.db2.gz	ASGVWJHROKIDFK-NEPJUHHUSA-N	2	2	196.338	2.025	20	0		AEADLP
CC1=CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)CC1	379618020	538423336	/nfs/dbraw/zinc/42/33/36/538423336.db2.gz	ASGVWJHROKIDFK-VXGBXAGGSA-N	2	2	196.338	2.025	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCC1CC1	379650904	538426318	/nfs/dbraw/zinc/42/63/18/538426318.db2.gz	FJLHKNQJGJGKLM-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](CCC1CC1)[NH2+][C@@H](C)C[NH+](C)C	379650905	538426555	/nfs/dbraw/zinc/42/65/55/538426555.db2.gz	FJLHKNQJGJGKLM-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C([NH2+]Cc1c[nH+]c[nH]1)C(C)C	388883148	538438515	/nfs/dbraw/zinc/43/85/15/538438515.db2.gz	JGYSUJRZTPKPJE-UHFFFAOYSA-N	2	2	195.310	2.180	20	0		AEADLP
C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCC1	389205069	538439293	/nfs/dbraw/zinc/43/92/93/538439293.db2.gz	GEXDXBOHWKFJNQ-SNVBAGLBSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCC1	389205068	538439346	/nfs/dbraw/zinc/43/93/46/538439346.db2.gz	GEXDXBOHWKFJNQ-JTQLQIEISA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C(C)C	389242857	538439894	/nfs/dbraw/zinc/43/98/94/538439894.db2.gz	ZFNNTKZLQNQNEE-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C	389242857	538439895	/nfs/dbraw/zinc/43/98/95/538439895.db2.gz	ZFNNTKZLQNQNEE-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C(C)C	389242859	538439938	/nfs/dbraw/zinc/43/99/38/538439938.db2.gz	ZFNNTKZLQNQNEE-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+](C)C(C)C	389242859	538439936	/nfs/dbraw/zinc/43/99/36/538439936.db2.gz	ZFNNTKZLQNQNEE-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]1CC[C@H]1[NH2+]CC[N@H+](C)C(C)C	389242855	538439944	/nfs/dbraw/zinc/43/99/44/538439944.db2.gz	ZFNNTKZLQNQNEE-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C(C)C	389242855	538439945	/nfs/dbraw/zinc/43/99/45/538439945.db2.gz	ZFNNTKZLQNQNEE-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C(C)C	389242854	538440019	/nfs/dbraw/zinc/44/00/19/538440019.db2.gz	ZFNNTKZLQNQNEE-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C	389242854	538440021	/nfs/dbraw/zinc/44/00/21/538440021.db2.gz	ZFNNTKZLQNQNEE-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H](CC1CCCC1)[NH2+]CC[NH+](C)C	389357979	538440929	/nfs/dbraw/zinc/44/09/29/538440929.db2.gz	RCSSEHZFZFYTTO-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)C[NH2+]CC[N@@H+]1CCC[C@H]1C	308578599	573410459	/nfs/dbraw/zinc/41/04/59/573410459.db2.gz	FOLHVYNOXWKOLL-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)C[NH2+]CC[N@H+]1CCC[C@H]1C	308578599	573410465	/nfs/dbraw/zinc/41/04/65/573410465.db2.gz	FOLHVYNOXWKOLL-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C	308596695	573480565	/nfs/dbraw/zinc/48/05/65/573480565.db2.gz	MVVSMYYXTDFTHP-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C	308596695	573480567	/nfs/dbraw/zinc/48/05/67/573480567.db2.gz	MVVSMYYXTDFTHP-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C	308596696	573480603	/nfs/dbraw/zinc/48/06/03/573480603.db2.gz	MVVSMYYXTDFTHP-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C	308596696	573480607	/nfs/dbraw/zinc/48/06/07/573480607.db2.gz	MVVSMYYXTDFTHP-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C	308596698	573481058	/nfs/dbraw/zinc/48/10/58/573481058.db2.gz	MVVSMYYXTDFTHP-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C	308596698	573481070	/nfs/dbraw/zinc/48/10/70/573481070.db2.gz	MVVSMYYXTDFTHP-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C	53343166	673946386	/nfs/dbraw/zinc/94/63/86/673946386.db2.gz	BXCTYMRVCUTMEK-RYUDHWBXSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C	53343166	673946389	/nfs/dbraw/zinc/94/63/89/673946389.db2.gz	BXCTYMRVCUTMEK-RYUDHWBXSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC(CC)[NH2+]CC[N@@H+]1CCC[C@H]1C	53343172	673946394	/nfs/dbraw/zinc/94/63/94/673946394.db2.gz	MDPYJLFFCQTNJH-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC(CC)[NH2+]CC[N@H+]1CCC[C@H]1C	53343172	673946396	/nfs/dbraw/zinc/94/63/96/673946396.db2.gz	MDPYJLFFCQTNJH-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC(CC)[NH2+]CC[N@@H+]1CCC[C@@H]1C	53343171	673946435	/nfs/dbraw/zinc/94/64/35/673946435.db2.gz	MDPYJLFFCQTNJH-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
CCC(CC)[NH2+]CC[N@H+]1CCC[C@@H]1C	53343171	673946439	/nfs/dbraw/zinc/94/64/39/673946439.db2.gz	MDPYJLFFCQTNJH-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
CC(C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C	53343232	673946515	/nfs/dbraw/zinc/94/65/15/673946515.db2.gz	KKIPSBDIKCXHHM-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C	53343232	673946516	/nfs/dbraw/zinc/94/65/16/673946516.db2.gz	KKIPSBDIKCXHHM-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C	53343165	673946624	/nfs/dbraw/zinc/94/66/24/673946624.db2.gz	BXCTYMRVCUTMEK-NEPJUHHUSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C	53343165	673946626	/nfs/dbraw/zinc/94/66/26/673946626.db2.gz	BXCTYMRVCUTMEK-NEPJUHHUSA-N	2	2	198.354	2.249	20	0		AEADLP
C=C/C=C\CC[NH2+]C(C)(C)C[NH+](C)C	713669416	674015181	/nfs/dbraw/zinc/01/51/81/674015181.db2.gz	LIPPUYCQNVXJIJ-FPLPWBNLSA-N	2	2	196.338	2.049	20	0		AEADLP
C=C/C=C/CC[NH2+]C(C)(C)C[NH+](C)C	713669410	674015338	/nfs/dbraw/zinc/01/53/38/674015338.db2.gz	LIPPUYCQNVXJIJ-BQYQJAHWSA-N	2	2	196.338	2.049	20	0		AEADLP
CCCC[NH2+]C[C@H](C)[NH+]1CCCCC1	38028635	674064671	/nfs/dbraw/zinc/06/46/71/674064671.db2.gz	ZNHSNKYTTXEPLW-LBPRGKRZSA-N	2	2	198.354	2.251	20	0		AEADLP
CC(C)C[NH2+]C[C@H](C)[NH+]1CCCCC1	38028335	674064070	/nfs/dbraw/zinc/06/40/70/674064070.db2.gz	NUSBJGUSZZMMRP-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1	38028208	674064210	/nfs/dbraw/zinc/06/42/10/674064210.db2.gz	RQXPBFQOPHKEGG-RYUDHWBXSA-N	2	2	198.354	2.249	20	0		AEADLP
CC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1	38028207	674064307	/nfs/dbraw/zinc/06/43/07/674064307.db2.gz	RQXPBFQOPHKEGG-NEPJUHHUSA-N	2	2	198.354	2.249	20	0		AEADLP
CC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1	38028206	674064434	/nfs/dbraw/zinc/06/44/34/674064434.db2.gz	RQXPBFQOPHKEGG-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[NH2+]C[C@@H](C)[NH+]1CCCCC1	38028634	674064684	/nfs/dbraw/zinc/06/46/84/674064684.db2.gz	ZNHSNKYTTXEPLW-GFCCVEGCSA-N	2	2	198.354	2.251	20	0		AEADLP
CC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1	38028205	674064692	/nfs/dbraw/zinc/06/46/92/674064692.db2.gz	RQXPBFQOPHKEGG-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CC(C)C[NH2+]C[C@@H](C)[NH+]1CCCCC1	38028334	674064747	/nfs/dbraw/zinc/06/47/47/674064747.db2.gz	NUSBJGUSZZMMRP-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)CC[NH2+]C1(C[NH+](C)C)CCC1	379575923	1169589054	/nfs/dbraw/zinc/58/90/54/1169589054.db2.gz	MQJXGTMNTABGDT-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[NH+](CCC)CCn1cc[nH+]c1	197447919	566276509	/nfs/dbraw/zinc/27/65/09/566276509.db2.gz	HJCYKGGSTTUSOJ-UHFFFAOYSA-N	2	2	195.310	2.005	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+]1CCCC[C@@H]1C	307210017	566296487	/nfs/dbraw/zinc/29/64/87/566296487.db2.gz	LTADUUJVTVXOAF-SRVKXCTJSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@@H]1[N@H+]1CCCC[C@@H]1C	307210017	566296494	/nfs/dbraw/zinc/29/64/94/566296494.db2.gz	LTADUUJVTVXOAF-SRVKXCTJSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+]1CCCC[C@H]1C	307210018	566296732	/nfs/dbraw/zinc/29/67/32/566296732.db2.gz	LTADUUJVTVXOAF-WOPDTQHZSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@@H]1[N@H+]1CCCC[C@H]1C	307210018	566296738	/nfs/dbraw/zinc/29/67/38/566296738.db2.gz	LTADUUJVTVXOAF-WOPDTQHZSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1CCCC[C@H]1C	307210015	566296807	/nfs/dbraw/zinc/29/68/07/566296807.db2.gz	LTADUUJVTVXOAF-GRYCIOLGSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1CCCC[C@H]1C	307210015	566296815	/nfs/dbraw/zinc/29/68/15/566296815.db2.gz	LTADUUJVTVXOAF-GRYCIOLGSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1CCCC[C@@H]1C	307210016	566297245	/nfs/dbraw/zinc/29/72/45/566297245.db2.gz	LTADUUJVTVXOAF-SDDRHHMPSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1CCCC[C@@H]1C	307210016	566297249	/nfs/dbraw/zinc/29/72/49/566297249.db2.gz	LTADUUJVTVXOAF-SDDRHHMPSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[C@@H]1CC[N@@H+]1CC[NH2+]C(C)(C)C	1575507734	1170687590	/nfs/dbraw/zinc/68/75/90/1170687590.db2.gz	IRYFRQMURGUSDJ-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[C@@H]1CC[N@H+]1CC[NH2+]C(C)(C)C	1575507734	1170687594	/nfs/dbraw/zinc/68/75/94/1170687594.db2.gz	IRYFRQMURGUSDJ-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[C@H]1CC[N@@H+]1CC[NH2+]C(C)(C)C	1575507733	1170687765	/nfs/dbraw/zinc/68/77/65/1170687765.db2.gz	IRYFRQMURGUSDJ-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[C@H]1CC[N@H+]1CC[NH2+]C(C)(C)C	1575507733	1170687768	/nfs/dbraw/zinc/68/77/68/1170687768.db2.gz	IRYFRQMURGUSDJ-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C	53343231	571681490	/nfs/dbraw/zinc/68/14/90/571681490.db2.gz	KKIPSBDIKCXHHM-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C	53343231	571681501	/nfs/dbraw/zinc/68/15/01/571681501.db2.gz	KKIPSBDIKCXHHM-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C	251253385	571810673	/nfs/dbraw/zinc/81/06/73/571810673.db2.gz	BXCTYMRVCUTMEK-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C	251253385	571810676	/nfs/dbraw/zinc/81/06/76/571810676.db2.gz	BXCTYMRVCUTMEK-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C	251253383	571810601	/nfs/dbraw/zinc/81/06/01/571810601.db2.gz	BXCTYMRVCUTMEK-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C	251253383	571810605	/nfs/dbraw/zinc/81/06/05/571810605.db2.gz	BXCTYMRVCUTMEK-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C	252128625	571831147	/nfs/dbraw/zinc/83/11/47/571831147.db2.gz	KKIPSBDIKCXHHM-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C	252128625	571831153	/nfs/dbraw/zinc/83/11/53/571831153.db2.gz	KKIPSBDIKCXHHM-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[N@H+](C[C@H]1CCC[NH2+]1)[C@H](C)C(C)C	300059027	571893252	/nfs/dbraw/zinc/89/32/52/571893252.db2.gz	ZFPPUENCFIIINN-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[N@@H+](C[C@H]1CCC[NH2+]1)[C@H](C)C(C)C	300059027	571893255	/nfs/dbraw/zinc/89/32/55/571893255.db2.gz	ZFPPUENCFIIINN-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CCCC[NH2+]CC[NH+]1CCC(C)CC1	40771510	571960395	/nfs/dbraw/zinc/96/03/95/571960395.db2.gz	JEYKZRAJELUZIJ-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CCCC[NH2+][C@@H](C)C[NH+]1CCCCC1	35258987	572017812	/nfs/dbraw/zinc/01/78/12/572017812.db2.gz	ALIOHESQZNHVNV-LBPRGKRZSA-N	2	2	198.354	2.251	20	0		AEADLP
CCCC[NH2+][C@H](C)C[NH+]1CCCCC1	35258988	572018633	/nfs/dbraw/zinc/01/86/33/572018633.db2.gz	ALIOHESQZNHVNV-GFCCVEGCSA-N	2	2	198.354	2.251	20	0		AEADLP
[NH3+]Cc1ccccc1Nc1cccc[nH+]1	82592359	572056486	/nfs/dbraw/zinc/05/64/86/572056486.db2.gz	KITNIUISFVJXLK-UHFFFAOYSA-N	2	2	199.257	2.284	20	0		AEADLP
CC1(C[NH2+]Cc2c[nH+]c[nH]2)CCCC1	82619234	572073671	/nfs/dbraw/zinc/07/36/71/572073671.db2.gz	RYBGBRWBMJZWEP-UHFFFAOYSA-N	2	2	193.294	2.080	20	0		AEADLP
C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCCC1	37911239	572237895	/nfs/dbraw/zinc/23/78/95/572237895.db2.gz	LFYXHXNQSAXJGQ-NSHDSACASA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@H]1CCC[N@H+]1CC[NH2+]C1CCCC1	37911239	572237897	/nfs/dbraw/zinc/23/78/97/572237897.db2.gz	LFYXHXNQSAXJGQ-NSHDSACASA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCCC1	37911238	572239067	/nfs/dbraw/zinc/23/90/67/572239067.db2.gz	LFYXHXNQSAXJGQ-LLVKDONJSA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCCC1	37911238	572239068	/nfs/dbraw/zinc/23/90/68/572239068.db2.gz	LFYXHXNQSAXJGQ-LLVKDONJSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@@H+]1CC[C@H]([NH2+]CCC(C)C)C1	393370984	572242479	/nfs/dbraw/zinc/24/24/79/572242479.db2.gz	IOJSNPNURJWCLW-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@H]([NH2+]CCC(C)C)C1	393370984	572242480	/nfs/dbraw/zinc/24/24/80/572242480.db2.gz	IOJSNPNURJWCLW-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[NH2+]CCCCn1cc[nH+]c1	44353195	572244102	/nfs/dbraw/zinc/24/41/02/572244102.db2.gz	GPPUNRBGLRQBRS-UHFFFAOYSA-N	2	2	195.310	2.053	20	0		AEADLP
CCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)C)C1	393370982	572244123	/nfs/dbraw/zinc/24/41/23/572244123.db2.gz	IOJSNPNURJWCLW-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@@H]([NH2+]CCC(C)C)C1	393370982	572244125	/nfs/dbraw/zinc/24/41/25/572244125.db2.gz	IOJSNPNURJWCLW-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1	87255059	572408448	/nfs/dbraw/zinc/40/84/48/572408448.db2.gz	QWWBYXSHZBHMID-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1	87255059	572408449	/nfs/dbraw/zinc/40/84/49/572408449.db2.gz	QWWBYXSHZBHMID-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1	87255060	572410390	/nfs/dbraw/zinc/41/03/90/572410390.db2.gz	QWWBYXSHZBHMID-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1	87255060	572410392	/nfs/dbraw/zinc/41/03/92/572410392.db2.gz	QWWBYXSHZBHMID-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[NH2+]CC[N@@H+]1CCC(C)(C)C1	87259145	572413578	/nfs/dbraw/zinc/41/35/78/572413578.db2.gz	YLGCCLMBGMNTGI-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CCCC[NH2+]CC[N@H+]1CCC(C)(C)C1	87259145	572413582	/nfs/dbraw/zinc/41/35/82/572413582.db2.gz	YLGCCLMBGMNTGI-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CCCCCC[N@@H+]1CCC[C@H]([NH2+]C)C1	53201388	572425643	/nfs/dbraw/zinc/42/56/43/572425643.db2.gz	LCKYJAFHCIYRKS-LBPRGKRZSA-N	2	2	198.354	2.251	20	0		AEADLP
CCCCCC[N@H+]1CCC[C@H]([NH2+]C)C1	53201388	572425646	/nfs/dbraw/zinc/42/56/46/572425646.db2.gz	LCKYJAFHCIYRKS-LBPRGKRZSA-N	2	2	198.354	2.251	20	0		AEADLP
CC[C@@H](C)C[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1	83864027	572447927	/nfs/dbraw/zinc/44/79/27/572447927.db2.gz	DKPUOKPIBLTVRB-NXEZZACHSA-N	2	2	195.310	2.324	20	0		AEADLP
CC[C@H](C)C[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1	83864028	572447988	/nfs/dbraw/zinc/44/79/88/572447988.db2.gz	DKPUOKPIBLTVRB-VHSXEESVSA-N	2	2	195.310	2.324	20	0		AEADLP
CC[C@@H](C)C[C@H](C)[NH2+]Cc1c[nH+]c[nH]1	83864029	572448344	/nfs/dbraw/zinc/44/83/44/572448344.db2.gz	DKPUOKPIBLTVRB-ZJUUUORDSA-N	2	2	195.310	2.324	20	0		AEADLP
CC[C@H](C)C[C@H](C)[NH2+]Cc1c[nH+]c[nH]1	83864030	572449311	/nfs/dbraw/zinc/44/93/11/572449311.db2.gz	DKPUOKPIBLTVRB-UWVGGRQHSA-N	2	2	195.310	2.324	20	0		AEADLP
C[NH2+]CC[N@@H+](C)CCC1CCCCC1	87473693	572507606	/nfs/dbraw/zinc/50/76/06/572507606.db2.gz	QFVAREDIYCPUBY-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
C[NH2+]CC[N@H+](C)CCC1CCCCC1	87473693	572507604	/nfs/dbraw/zinc/50/76/04/572507604.db2.gz	QFVAREDIYCPUBY-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
C[NH+](C)CC[NH2+][C@H]1CCCC(C)(C)C1	70682489	572555412	/nfs/dbraw/zinc/55/54/12/572555412.db2.gz	BIJNEMWANZHIQV-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
C[NH+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1	70682491	572726366	/nfs/dbraw/zinc/72/63/66/572726366.db2.gz	BIJNEMWANZHIQV-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[NH2+]CCCc1c[nH+]ccc1C	85442762	572746285	/nfs/dbraw/zinc/74/62/85/572746285.db2.gz	BEQCKOSUVJRPLI-UHFFFAOYSA-N	2	2	192.306	2.322	20	0		AEADLP
Cc1cc[nH+]cc1CCC[NH2+]C(C)C	85442764	572746895	/nfs/dbraw/zinc/74/68/95/572746895.db2.gz	WDGANEPAJVCYHW-UHFFFAOYSA-N	2	2	192.306	2.321	20	0		AEADLP
CC[C@@H](C)C[NH2+]CC[N@@H+]1CCC[C@H]1C	308578603	573410970	/nfs/dbraw/zinc/41/09/70/573410970.db2.gz	FOLHVYNOXWKOLL-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)C[NH2+]CC[N@H+]1CCC[C@H]1C	308578603	573410975	/nfs/dbraw/zinc/41/09/75/573410975.db2.gz	FOLHVYNOXWKOLL-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)C[NH2+]CC[N@@H+]1CCC[C@@H]1C	308578597	573413126	/nfs/dbraw/zinc/41/31/26/573413126.db2.gz	FOLHVYNOXWKOLL-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)C[NH2+]CC[N@H+]1CCC[C@@H]1C	308578597	573413131	/nfs/dbraw/zinc/41/31/31/573413131.db2.gz	FOLHVYNOXWKOLL-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
C[NH+](C)CC(C)(C)[NH2+]CCCC1CC1	308607047	573525410	/nfs/dbraw/zinc/52/54/10/573525410.db2.gz	FTSOMJULJIZNLS-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@H](CCC1CC1)[NH2+]Cc1c[nH+]c[nH]1	308665969	573661115	/nfs/dbraw/zinc/66/11/15/573661115.db2.gz	SMAFSRNNRNKMCZ-SECBINFHSA-N	2	2	193.294	2.078	20	0		AEADLP
C[C@@H](CCC1CC1)[NH2+]Cc1c[nH+]c[nH]1	308665970	573661590	/nfs/dbraw/zinc/66/15/90/573661590.db2.gz	SMAFSRNNRNKMCZ-VIFPVBQESA-N	2	2	193.294	2.078	20	0		AEADLP
C[NH2+]CC[N@H+](C)[C@H]1C=CCCCCC1	308452380	573848502	/nfs/dbraw/zinc/84/85/02/573848502.db2.gz	HBPJQOAUVDRKDR-LBPRGKRZSA-N	2	2	196.338	2.027	20	0		AEADLP
C[NH2+]CC[N@@H+](C)[C@H]1C=CCCCCC1	308452380	573848512	/nfs/dbraw/zinc/84/85/12/573848512.db2.gz	HBPJQOAUVDRKDR-LBPRGKRZSA-N	2	2	196.338	2.027	20	0		AEADLP
CC(C)C[N@H+](C[C@H]1CCC[NH2+]1)C(C)C	42593428	573998418	/nfs/dbraw/zinc/99/84/18/573998418.db2.gz	FVCGLDSDLKPZMD-GFCCVEGCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[N@@H+](C[C@H]1CCC[NH2+]1)C(C)C	42593428	573998420	/nfs/dbraw/zinc/99/84/20/573998420.db2.gz	FVCGLDSDLKPZMD-GFCCVEGCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC1(C)CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1	87772212	574027532	/nfs/dbraw/zinc/02/75/32/574027532.db2.gz	ZHHGDHPMPYUFJK-SECBINFHSA-N	2	2	193.294	2.078	20	0		AEADLP
CC1(C)CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1	87772210	574027009	/nfs/dbraw/zinc/02/70/09/574027009.db2.gz	ZHHGDHPMPYUFJK-VIFPVBQESA-N	2	2	193.294	2.078	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+]C(C)(C)C	42409364	486725264	/nfs/dbraw/zinc/72/52/64/486725264.db2.gz	ZAVHJYRDXFOHSN-UHFFFAOYSA-N	2	2	186.343	2.106	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+]C(C)(C)C	42409364	486725268	/nfs/dbraw/zinc/72/52/68/486725268.db2.gz	ZAVHJYRDXFOHSN-UHFFFAOYSA-N	2	2	186.343	2.106	20	0		AEADLP
C[N@H+](CC1CCCCC1)CC(C)(C)[NH3+]	42495636	486727425	/nfs/dbraw/zinc/72/74/25/486727425.db2.gz	PZWGKJFQNANXQX-UHFFFAOYSA-N	2	2	198.354	2.236	20	0		AEADLP
C[N@@H+](CC1CCCCC1)CC(C)(C)[NH3+]	42495636	486727428	/nfs/dbraw/zinc/72/74/28/486727428.db2.gz	PZWGKJFQNANXQX-UHFFFAOYSA-N	2	2	198.354	2.236	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C	53344137	486748294	/nfs/dbraw/zinc/74/82/94/486748294.db2.gz	LUYKLXLWGUHWHR-LLVKDONJSA-N	2	2	186.343	2.105	20	0		AEADLP
CC(C)CCC[NH2+]CC[NH+]1CCCC1	53343348	486748091	/nfs/dbraw/zinc/74/80/91/486748091.db2.gz	GLOLBQPAITYXCW-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@H+](C)C(C)C	53344137	486748288	/nfs/dbraw/zinc/74/82/88/486748288.db2.gz	LUYKLXLWGUHWHR-LLVKDONJSA-N	2	2	186.343	2.105	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@H+](C)C(C)C	53344138	486748358	/nfs/dbraw/zinc/74/83/58/486748358.db2.gz	LUYKLXLWGUHWHR-NSHDSACASA-N	2	2	186.343	2.105	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@@H+](C)C(C)C	53344138	486748362	/nfs/dbraw/zinc/74/83/62/486748362.db2.gz	LUYKLXLWGUHWHR-NSHDSACASA-N	2	2	186.343	2.105	20	0		AEADLP
CCC(CC)[NH2+]CC[N@H+](C)C(C)C	53344141	486748577	/nfs/dbraw/zinc/74/85/77/486748577.db2.gz	ZQXUGJPUOFLMNI-UHFFFAOYSA-N	2	2	186.343	2.105	20	0		AEADLP
CCC(CC)[NH2+]CC[N@@H+](C)C(C)C	53344141	486748582	/nfs/dbraw/zinc/74/85/82/486748582.db2.gz	ZQXUGJPUOFLMNI-UHFFFAOYSA-N	2	2	186.343	2.105	20	0		AEADLP
CCC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1	53489412	486748953	/nfs/dbraw/zinc/74/89/53/486748953.db2.gz	AABRTCQKOXEDFW-WDEREUQCSA-N	2	2	198.354	2.247	20	0		AEADLP
CCC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1	53489412	486748956	/nfs/dbraw/zinc/74/89/56/486748956.db2.gz	AABRTCQKOXEDFW-WDEREUQCSA-N	2	2	198.354	2.247	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@H+](CC)C1CC1	53377185	486749104	/nfs/dbraw/zinc/74/91/04/486749104.db2.gz	CWZMGURCBKUWKY-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@@H+](CC)C1CC1	53377185	486749111	/nfs/dbraw/zinc/74/91/11/486749111.db2.gz	CWZMGURCBKUWKY-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+][C@@H](C)C1CC1	53345048	486749158	/nfs/dbraw/zinc/74/91/58/486749158.db2.gz	CVJPBELRSDFYNK-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+][C@@H](C)C1CC1	53345048	486749166	/nfs/dbraw/zinc/74/91/66/486749166.db2.gz	CVJPBELRSDFYNK-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1	53389547	486749239	/nfs/dbraw/zinc/74/92/39/486749239.db2.gz	VBHBDEIDAGSICU-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1	53389547	486749244	/nfs/dbraw/zinc/74/92/44/486749244.db2.gz	VBHBDEIDAGSICU-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)[NH2+]C[C@H](C)[N@H+](C)C1CC1	53489390	486749328	/nfs/dbraw/zinc/74/93/28/486749328.db2.gz	OIJULBYFSRGRRE-JTQLQIEISA-N	2	2	198.354	2.247	20	0		AEADLP
CCC(CC)[NH2+]C[C@H](C)[N@@H+](C)C1CC1	53489390	486749332	/nfs/dbraw/zinc/74/93/32/486749332.db2.gz	OIJULBYFSRGRRE-JTQLQIEISA-N	2	2	198.354	2.247	20	0		AEADLP
CCC(CC)[NH2+]CC[N@@H+]1CC[C@H](C)C1	53389558	486749354	/nfs/dbraw/zinc/74/93/54/486749354.db2.gz	IGKCOGPGASSDPU-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)[NH2+]CC[N@H+]1CC[C@H](C)C1	53389558	486749358	/nfs/dbraw/zinc/74/93/58/486749358.db2.gz	IGKCOGPGASSDPU-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1	53389549	486749400	/nfs/dbraw/zinc/74/94/00/486749400.db2.gz	VBHBDEIDAGSICU-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1	53389549	486749402	/nfs/dbraw/zinc/74/94/02/486749402.db2.gz	VBHBDEIDAGSICU-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1	53489414	486749416	/nfs/dbraw/zinc/74/94/16/486749416.db2.gz	AABRTCQKOXEDFW-MNOVXSKESA-N	2	2	198.354	2.247	20	0		AEADLP
CCC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1	53489414	486749418	/nfs/dbraw/zinc/74/94/18/486749418.db2.gz	AABRTCQKOXEDFW-MNOVXSKESA-N	2	2	198.354	2.247	20	0		AEADLP
CCC(CC)[NH2+]C[C@@H](C)[N@H+](C)C1CC1	53489388	486749429	/nfs/dbraw/zinc/74/94/29/486749429.db2.gz	OIJULBYFSRGRRE-SNVBAGLBSA-N	2	2	198.354	2.247	20	0		AEADLP
CCC(CC)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1	53489388	486749436	/nfs/dbraw/zinc/74/94/36/486749436.db2.gz	OIJULBYFSRGRRE-SNVBAGLBSA-N	2	2	198.354	2.247	20	0		AEADLP
CCC(CC)[NH2+]CC[N@H+](CC)C1CC1	53377199	486749493	/nfs/dbraw/zinc/74/94/93/486749493.db2.gz	PSFLDSPSXAAYEA-UHFFFAOYSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC(CC)[NH2+]CC[N@@H+](CC)C1CC1	53377199	486749498	/nfs/dbraw/zinc/74/94/98/486749498.db2.gz	PSFLDSPSXAAYEA-UHFFFAOYSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1	53489411	486749536	/nfs/dbraw/zinc/74/95/36/486749536.db2.gz	AABRTCQKOXEDFW-GHMZBOCLSA-N	2	2	198.354	2.247	20	0		AEADLP
CCC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1	53489411	486749541	/nfs/dbraw/zinc/74/95/41/486749541.db2.gz	AABRTCQKOXEDFW-GHMZBOCLSA-N	2	2	198.354	2.247	20	0		AEADLP
CC[N@H+](CC[NH2+][C@H](C)C(C)C)C1CC1	53377326	486749565	/nfs/dbraw/zinc/74/95/65/486749565.db2.gz	NRXABNRXPOZCEF-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[N@@H+](CC[NH2+][C@H](C)C(C)C)C1CC1	53377326	486749570	/nfs/dbraw/zinc/74/95/70/486749570.db2.gz	NRXABNRXPOZCEF-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H](C[NH2+]C1CCCC1)[N@H+](C)C1CC1	53489431	486749690	/nfs/dbraw/zinc/74/96/90/486749690.db2.gz	CEQXIZHLUHZKQK-SNVBAGLBSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@H](C[NH2+]C1CCCC1)[N@@H+](C)C1CC1	53489431	486749695	/nfs/dbraw/zinc/74/96/95/486749695.db2.gz	CEQXIZHLUHZKQK-SNVBAGLBSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC(CC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1	53389560	486750000	/nfs/dbraw/zinc/75/00/00/486750000.db2.gz	IGKCOGPGASSDPU-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)[NH2+]CC[N@H+]1CC[C@@H](C)C1	53389560	486750004	/nfs/dbraw/zinc/75/00/04/486750004.db2.gz	IGKCOGPGASSDPU-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H](C[NH2+]C1CCCC1)[N@H+](C)C1CC1	53489429	486750015	/nfs/dbraw/zinc/75/00/15/486750015.db2.gz	CEQXIZHLUHZKQK-JTQLQIEISA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H](C[NH2+]C1CCCC1)[N@@H+](C)C1CC1	53489429	486750020	/nfs/dbraw/zinc/75/00/20/486750020.db2.gz	CEQXIZHLUHZKQK-JTQLQIEISA-N	2	2	196.338	2.001	20	0		AEADLP
CCC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1	53489416	486750060	/nfs/dbraw/zinc/75/00/60/486750060.db2.gz	AABRTCQKOXEDFW-QWRGUYRKSA-N	2	2	198.354	2.247	20	0		AEADLP
CCC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1	53489416	486750064	/nfs/dbraw/zinc/75/00/64/486750064.db2.gz	AABRTCQKOXEDFW-QWRGUYRKSA-N	2	2	198.354	2.247	20	0		AEADLP
CC[N@H+](CC[NH2+][C@@H](C)C(C)C)C1CC1	53377322	486750249	/nfs/dbraw/zinc/75/02/49/486750249.db2.gz	NRXABNRXPOZCEF-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC[N@@H+](CC[NH2+][C@@H](C)C(C)C)C1CC1	53377322	486750252	/nfs/dbraw/zinc/75/02/52/486750252.db2.gz	NRXABNRXPOZCEF-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+][C@H](C)C1CC1	53345049	486750337	/nfs/dbraw/zinc/75/03/37/486750337.db2.gz	CVJPBELRSDFYNK-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+][C@H](C)C1CC1	53345049	486750343	/nfs/dbraw/zinc/75/03/43/486750343.db2.gz	CVJPBELRSDFYNK-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@H+](CC)C1CC1	53377180	486750443	/nfs/dbraw/zinc/75/04/43/486750443.db2.gz	CWZMGURCBKUWKY-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@@H+](CC)C1CC1	53377180	486750448	/nfs/dbraw/zinc/75/04/48/486750448.db2.gz	CWZMGURCBKUWKY-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
CC[N@@H+]1CCCC[C@H]1C[NH2+]CC(C)C	53652987	486752059	/nfs/dbraw/zinc/75/20/59/486752059.db2.gz	WJSKDERTMUXUJO-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@H+]1CCCC[C@H]1C[NH2+]CC(C)C	53652987	486752061	/nfs/dbraw/zinc/75/20/61/486752061.db2.gz	WJSKDERTMUXUJO-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC(C)C	53652984	486752442	/nfs/dbraw/zinc/75/24/42/486752442.db2.gz	WJSKDERTMUXUJO-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@H+]1CCCC[C@@H]1C[NH2+]CC(C)C	53652984	486752448	/nfs/dbraw/zinc/75/24/48/486752448.db2.gz	WJSKDERTMUXUJO-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCCC1	54080925	486754158	/nfs/dbraw/zinc/75/41/58/486754158.db2.gz	DCOIKVIERJIOGF-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCCC1	54080929	486754793	/nfs/dbraw/zinc/75/47/93/486754793.db2.gz	DCOIKVIERJIOGF-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
CCCC[C@H](CC)[NH2+]CC[NH+](C)C	68985165	486772733	/nfs/dbraw/zinc/77/27/33/486772733.db2.gz	NCHPKSHGHOAYIV-NSHDSACASA-N	2	2	186.343	2.106	20	0		AEADLP
CCCC[C@@H](CC)[NH2+]CC[NH+](C)C	68985161	486772912	/nfs/dbraw/zinc/77/29/12/486772912.db2.gz	NCHPKSHGHOAYIV-LLVKDONJSA-N	2	2	186.343	2.106	20	0		AEADLP
CC(C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1	69793146	486775471	/nfs/dbraw/zinc/77/54/71/486775471.db2.gz	OOJOMEAXNLCIRW-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)[NH2+]CC[N@H+]1CCCC(C)(C)C1	69793146	486775476	/nfs/dbraw/zinc/77/54/76/486775476.db2.gz	OOJOMEAXNLCIRW-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
Cc1ccc(CCC[NH2+]C2CC2)c[nH+]1	70639418	486791535	/nfs/dbraw/zinc/79/15/35/486791535.db2.gz	XAHDQRHAYSLTME-UHFFFAOYSA-N	2	2	190.290	2.075	20	0		AEADLP
Cc1ccc(CCC[NH2+]C(C)C)c[nH+]1	70639356	486791653	/nfs/dbraw/zinc/79/16/53/486791653.db2.gz	FRPJTSOKYTWHFI-UHFFFAOYSA-N	2	2	192.306	2.321	20	0		AEADLP
CCC[NH2+]CCCc1ccc(C)[nH+]c1	70639300	486791745	/nfs/dbraw/zinc/79/17/45/486791745.db2.gz	YHYMQWRBMJQYBV-UHFFFAOYSA-N	2	2	192.306	2.322	20	0		AEADLP
CCC[N@H+](C[C@H](C)CC)[C@@H]1CC[NH2+]C1	70902069	486796927	/nfs/dbraw/zinc/79/69/27/486796927.db2.gz	WLIBLMKLRKTWGH-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@@H+](C[C@H](C)CC)[C@@H]1CC[NH2+]C1	70902069	486796931	/nfs/dbraw/zinc/79/69/31/486796931.db2.gz	WLIBLMKLRKTWGH-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@H+](CC)CCn1cc[nH+]c1	674766971	486811528	/nfs/dbraw/zinc/81/15/28/486811528.db2.gz	NQPQIEPLUWLZGI-UHFFFAOYSA-N	2	2	195.310	2.005	20	0		AEADLP
CCCC[N@@H+](CC)CCn1cc[nH+]c1	674766971	486811531	/nfs/dbraw/zinc/81/15/31/486811531.db2.gz	NQPQIEPLUWLZGI-UHFFFAOYSA-N	2	2	195.310	2.005	20	0		AEADLP
CC(C)([NH3+])C[N@@H+]1CCCC(C)(C)CC1	83680820	486840010	/nfs/dbraw/zinc/84/00/10/486840010.db2.gz	JESYQRFXEYAJBU-UHFFFAOYSA-N	2	2	198.354	2.236	20	0		AEADLP
CC(C)([NH3+])C[N@H+]1CCCC(C)(C)CC1	83680820	486840014	/nfs/dbraw/zinc/84/00/14/486840014.db2.gz	JESYQRFXEYAJBU-UHFFFAOYSA-N	2	2	198.354	2.236	20	0		AEADLP
C[N@H+](CC[NH2+]C(C)(C)C)CCC1CC1	83926974	486849076	/nfs/dbraw/zinc/84/90/76/486849076.db2.gz	ZSAAJJUHHIUDBW-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
C[N@@H+](CC[NH2+]C(C)(C)C)CCC1CC1	83926974	486849080	/nfs/dbraw/zinc/84/90/80/486849080.db2.gz	ZSAAJJUHHIUDBW-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@H+](C)CCCn1cc[nH+]c1	676222456	486858035	/nfs/dbraw/zinc/85/80/35/486858035.db2.gz	OHVJSFXNTRBSJL-UHFFFAOYSA-N	2	2	195.310	2.005	20	0		AEADLP
CCCC[N@@H+](C)CCCn1cc[nH+]c1	676222456	486858043	/nfs/dbraw/zinc/85/80/43/486858043.db2.gz	OHVJSFXNTRBSJL-UHFFFAOYSA-N	2	2	195.310	2.005	20	0		AEADLP
CC[C@@H](C)C[N@H+](CC)CC(C)(C)[NH3+]	86440279	486881491	/nfs/dbraw/zinc/88/14/91/486881491.db2.gz	WBCBHAJNRRYFKV-SNVBAGLBSA-N	2	2	186.343	2.092	20	0		AEADLP
CC[C@@H](C)C[N@@H+](CC)CC(C)(C)[NH3+]	86440279	486881496	/nfs/dbraw/zinc/88/14/96/486881496.db2.gz	WBCBHAJNRRYFKV-SNVBAGLBSA-N	2	2	186.343	2.092	20	0		AEADLP
CC[C@H](C)C[N@H+](CC)CC(C)(C)[NH3+]	86440282	486882021	/nfs/dbraw/zinc/88/20/21/486882021.db2.gz	WBCBHAJNRRYFKV-JTQLQIEISA-N	2	2	186.343	2.092	20	0		AEADLP
CC[C@H](C)C[N@@H+](CC)CC(C)(C)[NH3+]	86440282	486882022	/nfs/dbraw/zinc/88/20/22/486882022.db2.gz	WBCBHAJNRRYFKV-JTQLQIEISA-N	2	2	186.343	2.092	20	0		AEADLP
C[C@@H](C[NH2+][C@@H]1CCCC1(C)C)[NH+](C)C	86856897	486888451	/nfs/dbraw/zinc/88/84/51/486888451.db2.gz	CSFCSELAKHGTHP-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+][C@H]1CCCC1(C)C)[NH+](C)C	86856899	486888301	/nfs/dbraw/zinc/88/83/01/486888301.db2.gz	CSFCSELAKHGTHP-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[NH+](C)C	87771215	486901355	/nfs/dbraw/zinc/90/13/55/486901355.db2.gz	YKRXCVAMSRNBRA-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[NH+](C)C	87771219	486901712	/nfs/dbraw/zinc/90/17/12/486901712.db2.gz	YKRXCVAMSRNBRA-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC(C)(C)[N@H+](C)CCn1cc[nH+]c1	677986598	486910140	/nfs/dbraw/zinc/91/01/40/486910140.db2.gz	RCJWWXXMHZQVHC-UHFFFAOYSA-N	2	2	195.310	2.004	20	0		AEADLP
CCC(C)(C)[N@@H+](C)CCn1cc[nH+]c1	677986598	486910145	/nfs/dbraw/zinc/91/01/45/486910145.db2.gz	RCJWWXXMHZQVHC-UHFFFAOYSA-N	2	2	195.310	2.004	20	0		AEADLP
CCC[C@@H](C)[N@H+](C)CCn1cc[nH+]c1	677980912	486910368	/nfs/dbraw/zinc/91/03/68/486910368.db2.gz	NSUNLVXNZDKFIT-LLVKDONJSA-N	2	2	195.310	2.004	20	0		AEADLP
CCC[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1	677980912	486910373	/nfs/dbraw/zinc/91/03/73/486910373.db2.gz	NSUNLVXNZDKFIT-LLVKDONJSA-N	2	2	195.310	2.004	20	0		AEADLP
CCC[C@H](C)[N@H+](C)CCn1cc[nH+]c1	677980913	486910575	/nfs/dbraw/zinc/91/05/75/486910575.db2.gz	NSUNLVXNZDKFIT-NSHDSACASA-N	2	2	195.310	2.004	20	0		AEADLP
CCC[C@H](C)[N@@H+](C)CCn1cc[nH+]c1	677980913	486910580	/nfs/dbraw/zinc/91/05/80/486910580.db2.gz	NSUNLVXNZDKFIT-NSHDSACASA-N	2	2	195.310	2.004	20	0		AEADLP
CCC[N@H+](CC)CCCn1cc[nH+]c1	678883795	486949350	/nfs/dbraw/zinc/94/93/50/486949350.db2.gz	UOVSKDWPQZDCTK-UHFFFAOYSA-N	2	2	195.310	2.005	20	0		AEADLP
CCC[N@@H+](CC)CCCn1cc[nH+]c1	678883795	486949355	/nfs/dbraw/zinc/94/93/55/486949355.db2.gz	UOVSKDWPQZDCTK-UHFFFAOYSA-N	2	2	195.310	2.005	20	0		AEADLP
CC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1	678885918	486949973	/nfs/dbraw/zinc/94/99/73/486949973.db2.gz	LCGBTKYIYFGZLM-LLVKDONJSA-N	2	2	195.310	2.004	20	0		AEADLP
CC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1	678885918	486949977	/nfs/dbraw/zinc/94/99/77/486949977.db2.gz	LCGBTKYIYFGZLM-LLVKDONJSA-N	2	2	195.310	2.004	20	0		AEADLP
CC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1	678885919	486950092	/nfs/dbraw/zinc/95/00/92/486950092.db2.gz	LCGBTKYIYFGZLM-NSHDSACASA-N	2	2	195.310	2.004	20	0		AEADLP
CC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1	678885919	486950095	/nfs/dbraw/zinc/95/00/95/486950095.db2.gz	LCGBTKYIYFGZLM-NSHDSACASA-N	2	2	195.310	2.004	20	0		AEADLP
C[C@@H](C[N@@H+]1CCC[C@H]([NH3+])C1)C(C)(C)C	163137867	486985252	/nfs/dbraw/zinc/98/52/52/486985252.db2.gz	LILKTHVEAJZGGH-QWRGUYRKSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@@H](C[N@H+]1CCC[C@H]([NH3+])C1)C(C)(C)C	163137867	486985255	/nfs/dbraw/zinc/98/52/55/486985255.db2.gz	LILKTHVEAJZGGH-QWRGUYRKSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H](C[N@@H+]1CCC[C@H]([NH3+])C1)C(C)(C)C	163137986	486985553	/nfs/dbraw/zinc/98/55/53/486985553.db2.gz	LILKTHVEAJZGGH-MNOVXSKESA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H](C[N@H+]1CCC[C@H]([NH3+])C1)C(C)(C)C	163137986	486985561	/nfs/dbraw/zinc/98/55/61/486985561.db2.gz	LILKTHVEAJZGGH-MNOVXSKESA-N	2	2	198.354	2.092	20	0		AEADLP
CCC(CC)C[N@@H+]1CCC[C@H]1C[NH2+]C	169237808	487008219	/nfs/dbraw/zinc/00/82/19/487008219.db2.gz	UTNCLNCVBDHCGN-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)C[N@H+]1CCC[C@H]1C[NH2+]C	169237808	487008221	/nfs/dbraw/zinc/00/82/21/487008221.db2.gz	UTNCLNCVBDHCGN-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)C[N@@H+]1CCC[C@@H]1C[NH2+]C	169237733	487008426	/nfs/dbraw/zinc/00/84/26/487008426.db2.gz	UTNCLNCVBDHCGN-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)C[N@H+]1CCC[C@@H]1C[NH2+]C	169237733	487008433	/nfs/dbraw/zinc/00/84/33/487008433.db2.gz	UTNCLNCVBDHCGN-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
C[N@@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C	220636000	487030250	/nfs/dbraw/zinc/03/02/50/487030250.db2.gz	BKJSGZCHAKLKDA-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
C[N@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C	220636000	487030252	/nfs/dbraw/zinc/03/02/52/487030252.db2.gz	BKJSGZCHAKLKDA-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)C(C)(C)C	221525572	487033017	/nfs/dbraw/zinc/03/30/17/487033017.db2.gz	LILKTHVEAJZGGH-GHMZBOCLSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C(C)(C)C	221525572	487033024	/nfs/dbraw/zinc/03/30/24/487033024.db2.gz	LILKTHVEAJZGGH-GHMZBOCLSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)C(C)(C)C	221525521	487033423	/nfs/dbraw/zinc/03/34/23/487033423.db2.gz	LILKTHVEAJZGGH-WDEREUQCSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C(C)(C)C	221525521	487033426	/nfs/dbraw/zinc/03/34/26/487033426.db2.gz	LILKTHVEAJZGGH-WDEREUQCSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H]1CCCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C	226271978	487047700	/nfs/dbraw/zinc/04/77/00/487047700.db2.gz	OCUXYOZLFMKBDL-SDDRHHMPSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[NH+](C)C	226271806	487047957	/nfs/dbraw/zinc/04/79/57/487047957.db2.gz	UVAWYUMOITVXMT-WOPDTQHZSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C	226271987	487048097	/nfs/dbraw/zinc/04/80/97/487048097.db2.gz	OCUXYOZLFMKBDL-SRVKXCTJSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)[NH+](C)C	226271797	487048192	/nfs/dbraw/zinc/04/81/92/487048192.db2.gz	UVAWYUMOITVXMT-GRYCIOLGSA-N	2	2	198.354	2.105	20	0		AEADLP
CCCCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+]	249771671	487112008	/nfs/dbraw/zinc/11/20/08/487112008.db2.gz	BEGITXMVCZJJLG-RYUDHWBXSA-N	2	2	198.354	2.378	20	0		AEADLP
CCCCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+]	249771671	487112011	/nfs/dbraw/zinc/11/20/11/487112011.db2.gz	BEGITXMVCZJJLG-RYUDHWBXSA-N	2	2	198.354	2.378	20	0		AEADLP
CCCCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+]	249771668	487112045	/nfs/dbraw/zinc/11/20/45/487112045.db2.gz	BEGITXMVCZJJLG-NWDGAFQWSA-N	2	2	198.354	2.378	20	0		AEADLP
CCCCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+]	249771668	487112049	/nfs/dbraw/zinc/11/20/49/487112049.db2.gz	BEGITXMVCZJJLG-NWDGAFQWSA-N	2	2	198.354	2.378	20	0		AEADLP
CCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1	249961437	487112461	/nfs/dbraw/zinc/11/24/61/487112461.db2.gz	JQZSEGSOXYIEFR-NEPJUHHUSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1	249961437	487112465	/nfs/dbraw/zinc/11/24/65/487112465.db2.gz	JQZSEGSOXYIEFR-NEPJUHHUSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1	249961442	487112590	/nfs/dbraw/zinc/11/25/90/487112590.db2.gz	JQZSEGSOXYIEFR-VXGBXAGGSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1	249961442	487112594	/nfs/dbraw/zinc/11/25/94/487112594.db2.gz	JQZSEGSOXYIEFR-VXGBXAGGSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@H+](C[C@@H](C)CC)[C@H]1CC[NH2+]C1	250121340	487112622	/nfs/dbraw/zinc/11/26/22/487112622.db2.gz	WLIBLMKLRKTWGH-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@@H+](C[C@@H](C)CC)[C@H]1CC[NH2+]C1	250121340	487112625	/nfs/dbraw/zinc/11/26/25/487112625.db2.gz	WLIBLMKLRKTWGH-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+](C[C@H](C)CC)[C@H]1CC[NH2+]C1	250121339	487112765	/nfs/dbraw/zinc/11/27/65/487112765.db2.gz	WLIBLMKLRKTWGH-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@@H+](C[C@H](C)CC)[C@H]1CC[NH2+]C1	250121339	487112770	/nfs/dbraw/zinc/11/27/70/487112770.db2.gz	WLIBLMKLRKTWGH-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccccc1	251132856	487115532	/nfs/dbraw/zinc/11/55/32/487115532.db2.gz	UPTLDJJMVSIXMP-GHMZBOCLSA-N	2	2	192.306	2.027	20	0		AEADLP
C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccccc1	251132856	487115535	/nfs/dbraw/zinc/11/55/35/487115535.db2.gz	UPTLDJJMVSIXMP-GHMZBOCLSA-N	2	2	192.306	2.027	20	0		AEADLP
C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1ccccc1	251132859	487115561	/nfs/dbraw/zinc/11/55/61/487115561.db2.gz	UPTLDJJMVSIXMP-WDEREUQCSA-N	2	2	192.306	2.027	20	0		AEADLP
C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccccc1	251132859	487115562	/nfs/dbraw/zinc/11/55/62/487115562.db2.gz	UPTLDJJMVSIXMP-WDEREUQCSA-N	2	2	192.306	2.027	20	0		AEADLP
C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1cccs1	251145554	487115624	/nfs/dbraw/zinc/11/56/24/487115624.db2.gz	XGDVJTFHWHACGR-DTWKUNHWSA-N	2	2	198.335	2.088	20	0		AEADLP
C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccs1	251145554	487115627	/nfs/dbraw/zinc/11/56/27/487115627.db2.gz	XGDVJTFHWHACGR-DTWKUNHWSA-N	2	2	198.335	2.088	20	0		AEADLP
C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccs1	251145557	487115647	/nfs/dbraw/zinc/11/56/47/487115647.db2.gz	XGDVJTFHWHACGR-RKDXNWHRSA-N	2	2	198.335	2.088	20	0		AEADLP
C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccs1	251145557	487115649	/nfs/dbraw/zinc/11/56/49/487115649.db2.gz	XGDVJTFHWHACGR-RKDXNWHRSA-N	2	2	198.335	2.088	20	0		AEADLP
CC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+]	251862724	487120129	/nfs/dbraw/zinc/12/01/29/487120129.db2.gz	OQQKHYYOOWDAII-SRVKXCTJSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+]	251862724	487120133	/nfs/dbraw/zinc/12/01/33/487120133.db2.gz	OQQKHYYOOWDAII-SRVKXCTJSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+]	251862721	487120655	/nfs/dbraw/zinc/12/06/55/487120655.db2.gz	OQQKHYYOOWDAII-SDDRHHMPSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+]	251862721	487120660	/nfs/dbraw/zinc/12/06/60/487120660.db2.gz	OQQKHYYOOWDAII-SDDRHHMPSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+]	251862727	487120719	/nfs/dbraw/zinc/12/07/19/487120719.db2.gz	OQQKHYYOOWDAII-TUAOUCFPSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+]	251862727	487120722	/nfs/dbraw/zinc/12/07/22/487120722.db2.gz	OQQKHYYOOWDAII-TUAOUCFPSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+]	252451986	487124730	/nfs/dbraw/zinc/12/47/30/487124730.db2.gz	HMCSHXQCHKGSKK-RYUDHWBXSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+]	252451986	487124733	/nfs/dbraw/zinc/12/47/33/487124733.db2.gz	HMCSHXQCHKGSKK-RYUDHWBXSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+]	252451985	487124806	/nfs/dbraw/zinc/12/48/06/487124806.db2.gz	HMCSHXQCHKGSKK-NWDGAFQWSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+]	252451985	487124811	/nfs/dbraw/zinc/12/48/11/487124811.db2.gz	HMCSHXQCHKGSKK-NWDGAFQWSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1C)[NH+](C)C	252458157	487124868	/nfs/dbraw/zinc/12/48/68/487124868.db2.gz	OCUXYOZLFMKBDL-GRYCIOLGSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+][C@H]1CCCC[C@H]1C)[NH+](C)C	252458158	487124940	/nfs/dbraw/zinc/12/49/40/487124940.db2.gz	OCUXYOZLFMKBDL-WOPDTQHZSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CCC[C@@H](C)C[N@H+]1CC(C)(C)[NH3+]	306651518	487163580	/nfs/dbraw/zinc/16/35/80/487163580.db2.gz	GALLNLFXLILJPT-MNOVXSKESA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]1CCC[C@@H](C)C[N@@H+]1CC(C)(C)[NH3+]	306651518	487163583	/nfs/dbraw/zinc/16/35/83/487163583.db2.gz	GALLNLFXLILJPT-MNOVXSKESA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]1CCC[C@@H](C)[N@H+](CC(C)(C)[NH3+])C1	306651520	487163630	/nfs/dbraw/zinc/16/36/30/487163630.db2.gz	GALLNLFXLILJPT-WDEREUQCSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]1CCC[C@@H](C)[N@@H+](CC(C)(C)[NH3+])C1	306651520	487163636	/nfs/dbraw/zinc/16/36/36/487163636.db2.gz	GALLNLFXLILJPT-WDEREUQCSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H]1C[N@H+](CC(C)(C)[NH3+])CC(C)(C)C1	306658120	487163737	/nfs/dbraw/zinc/16/37/37/487163737.db2.gz	IKRZWIAHEUHAJR-JTQLQIEISA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CC(C)(C)C1	306658120	487163739	/nfs/dbraw/zinc/16/37/39/487163739.db2.gz	IKRZWIAHEUHAJR-JTQLQIEISA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H]1C[N@H+](CC(C)(C)[NH3+])CC(C)(C)C1	306658121	487163930	/nfs/dbraw/zinc/16/39/30/487163930.db2.gz	IKRZWIAHEUHAJR-SNVBAGLBSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H]1C[N@@H+](CC(C)(C)[NH3+])CC(C)(C)C1	306658121	487163935	/nfs/dbraw/zinc/16/39/35/487163935.db2.gz	IKRZWIAHEUHAJR-SNVBAGLBSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H]1CCC[C@H](C)[N@H+](CC(C)(C)[NH3+])C1	306651519	487164014	/nfs/dbraw/zinc/16/40/14/487164014.db2.gz	GALLNLFXLILJPT-QWRGUYRKSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]1CCC[C@H](C)[N@@H+](CC(C)(C)[NH3+])C1	306651519	487164017	/nfs/dbraw/zinc/16/40/17/487164017.db2.gz	GALLNLFXLILJPT-QWRGUYRKSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H]1CCC[C@@H](C)[N@H+](CC(C)(C)[NH3+])C1	306651517	487164055	/nfs/dbraw/zinc/16/40/55/487164055.db2.gz	GALLNLFXLILJPT-GHMZBOCLSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H]1CCC[C@@H](C)[N@@H+](CC(C)(C)[NH3+])C1	306651517	487164058	/nfs/dbraw/zinc/16/40/58/487164058.db2.gz	GALLNLFXLILJPT-GHMZBOCLSA-N	2	2	198.354	2.234	20	0		AEADLP
CCCCC[NH2+]C(C)(C)C[NH+](C)C	308611558	487205327	/nfs/dbraw/zinc/20/53/27/487205327.db2.gz	AZYAUUIDIIPLGK-UHFFFAOYSA-N	2	2	186.343	2.106	20	0		AEADLP
C[NH+](C)CC(C)(C)[NH2+][C@H]1C=CCCC1	308636741	487205932	/nfs/dbraw/zinc/20/59/32/487205932.db2.gz	OSBVXOLAWQFHBT-NSHDSACASA-N	2	2	196.338	2.025	20	0		AEADLP
C[NH+](C)CC(C)(C)[NH2+][C@@H]1C=CCCC1	308636740	487206294	/nfs/dbraw/zinc/20/62/94/487206294.db2.gz	OSBVXOLAWQFHBT-LLVKDONJSA-N	2	2	196.338	2.025	20	0		AEADLP
CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C(C)C)C1	328320520	487227006	/nfs/dbraw/zinc/22/70/06/487227006.db2.gz	DSGCHECQFHDFQU-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCC1	322399436	487220937	/nfs/dbraw/zinc/22/09/37/487220937.db2.gz	RKYVWYNDBCTVGQ-JQWIXIFHSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCC1	322390895	487220947	/nfs/dbraw/zinc/22/09/47/487220947.db2.gz	OIXNJUJOKRHIHF-CMPLNLGQSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCC1	322399438	487220996	/nfs/dbraw/zinc/22/09/96/487220996.db2.gz	RKYVWYNDBCTVGQ-PWSUYJOCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCC1	322399439	487221088	/nfs/dbraw/zinc/22/10/88/487221088.db2.gz	RKYVWYNDBCTVGQ-ZYHUDNBSSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCC1	322390896	487221172	/nfs/dbraw/zinc/22/11/72/487221172.db2.gz	OIXNJUJOKRHIHF-JQWIXIFHSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCC1	322399434	487221250	/nfs/dbraw/zinc/22/12/50/487221250.db2.gz	RKYVWYNDBCTVGQ-CMPLNLGQSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[C@@H]([NH2+]CC[NH+](C)C)C1CCC1	322712880	487222476	/nfs/dbraw/zinc/22/24/76/487222476.db2.gz	RHNPBUQCIWVLIA-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@H]([NH2+]CC[NH+](C)C)C1CCC1	322712881	487223125	/nfs/dbraw/zinc/22/31/25/487223125.db2.gz	RHNPBUQCIWVLIA-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1	328147673	487226415	/nfs/dbraw/zinc/22/64/15/487226415.db2.gz	COJYQDXCJACEBM-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1	328147673	487226419	/nfs/dbraw/zinc/22/64/19/487226419.db2.gz	COJYQDXCJACEBM-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C)C1	328147675	487226747	/nfs/dbraw/zinc/22/67/47/487226747.db2.gz	COJYQDXCJACEBM-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)C1	328147675	487226752	/nfs/dbraw/zinc/22/67/52/487226752.db2.gz	COJYQDXCJACEBM-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CC)C1	328330427	487226907	/nfs/dbraw/zinc/22/69/07/487226907.db2.gz	HISNZXMKQYZJNY-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CC)C1	328330427	487226909	/nfs/dbraw/zinc/22/69/09/487226909.db2.gz	HISNZXMKQYZJNY-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C(C)C)C1	328320520	487227010	/nfs/dbraw/zinc/22/70/10/487227010.db2.gz	DSGCHECQFHDFQU-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CC)C1	328330429	487227108	/nfs/dbraw/zinc/22/71/08/487227108.db2.gz	HISNZXMKQYZJNY-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CC)C1	328330429	487227112	/nfs/dbraw/zinc/22/71/12/487227112.db2.gz	HISNZXMKQYZJNY-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)CC)C1	328330428	487227305	/nfs/dbraw/zinc/22/73/05/487227305.db2.gz	HISNZXMKQYZJNY-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)CC)C1	328330428	487227309	/nfs/dbraw/zinc/22/73/09/487227309.db2.gz	HISNZXMKQYZJNY-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(C)C)C1	328320517	487227339	/nfs/dbraw/zinc/22/73/39/487227339.db2.gz	DSGCHECQFHDFQU-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(C)C)C1	328320517	487227343	/nfs/dbraw/zinc/22/73/43/487227343.db2.gz	DSGCHECQFHDFQU-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)C)C1	328320518	487227435	/nfs/dbraw/zinc/22/74/35/487227435.db2.gz	DSGCHECQFHDFQU-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)C)C1	328320518	487227439	/nfs/dbraw/zinc/22/74/39/487227439.db2.gz	DSGCHECQFHDFQU-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(C)C)C1	328320519	487227508	/nfs/dbraw/zinc/22/75/08/487227508.db2.gz	DSGCHECQFHDFQU-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(C)C)C1	328320519	487227511	/nfs/dbraw/zinc/22/75/11/487227511.db2.gz	DSGCHECQFHDFQU-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[N@@H+]1CC[C@@H]([NH2+]C(CC)CC)C1	328457880	487227614	/nfs/dbraw/zinc/22/76/14/487227614.db2.gz	GCEDYFKCFLPRQZ-GFCCVEGCSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)CC)C1	328330430	487227608	/nfs/dbraw/zinc/22/76/08/487227608.db2.gz	HISNZXMKQYZJNY-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)CC)C1	328330430	487227609	/nfs/dbraw/zinc/22/76/09/487227609.db2.gz	HISNZXMKQYZJNY-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@H+]1CC[C@@H]([NH2+]C(CC)CC)C1	328457880	487227616	/nfs/dbraw/zinc/22/76/16/487227616.db2.gz	GCEDYFKCFLPRQZ-GFCCVEGCSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[N@@H+]1CC[C@H]([NH2+]C(CC)CC)C1	328457882	487227673	/nfs/dbraw/zinc/22/76/73/487227673.db2.gz	GCEDYFKCFLPRQZ-LBPRGKRZSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[N@H+]1CC[C@H]([NH2+]C(CC)CC)C1	328457882	487227675	/nfs/dbraw/zinc/22/76/75/487227675.db2.gz	GCEDYFKCFLPRQZ-LBPRGKRZSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1	328531791	487227987	/nfs/dbraw/zinc/22/79/87/487227987.db2.gz	XVIVSTUKQQFIJY-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1	328531791	487227990	/nfs/dbraw/zinc/22/79/90/487227990.db2.gz	XVIVSTUKQQFIJY-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1	328531790	487228008	/nfs/dbraw/zinc/22/80/08/487228008.db2.gz	XVIVSTUKQQFIJY-RYUDHWBXSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1	328531790	487228010	/nfs/dbraw/zinc/22/80/10/487228010.db2.gz	XVIVSTUKQQFIJY-RYUDHWBXSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1	328531788	487228109	/nfs/dbraw/zinc/22/81/09/487228109.db2.gz	XVIVSTUKQQFIJY-NEPJUHHUSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1	328531788	487228112	/nfs/dbraw/zinc/22/81/12/487228112.db2.gz	XVIVSTUKQQFIJY-NEPJUHHUSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1	328531789	487228127	/nfs/dbraw/zinc/22/81/27/487228127.db2.gz	XVIVSTUKQQFIJY-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1	328531789	487228128	/nfs/dbraw/zinc/22/81/28/487228128.db2.gz	XVIVSTUKQQFIJY-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C1	393256678	487265086	/nfs/dbraw/zinc/26/50/86/487265086.db2.gz	QRZZYTOBWOCVPR-LBPRGKRZSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@H+]1CC[C@H]([NH2+]C2CCCC2)C1	393256678	487265091	/nfs/dbraw/zinc/26/50/91/487265091.db2.gz	QRZZYTOBWOCVPR-LBPRGKRZSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@@H+]1CC[C@@H]([NH2+]C2CCCC2)C1	393256676	487265635	/nfs/dbraw/zinc/26/56/35/487265635.db2.gz	QRZZYTOBWOCVPR-GFCCVEGCSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@H+]1CC[C@@H]([NH2+]C2CCCC2)C1	393256676	487265638	/nfs/dbraw/zinc/26/56/38/487265638.db2.gz	QRZZYTOBWOCVPR-GFCCVEGCSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[C@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CC1	397823248	487280356	/nfs/dbraw/zinc/28/03/56/487280356.db2.gz	ABKIKBAOAHONHU-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CC1	397823249	487280364	/nfs/dbraw/zinc/28/03/64/487280364.db2.gz	ABKIKBAOAHONHU-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[C@@H](C)[NH2+]CC1([NH+](C)C)CC1	397835984	487280407	/nfs/dbraw/zinc/28/04/07/487280407.db2.gz	FFWCYRCYEGJDPS-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[C@@H](CC)[NH2+]CC1([NH+](C)C)CC1	397854968	487280412	/nfs/dbraw/zinc/28/04/12/487280412.db2.gz	LVLHNGVJKQVPDD-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@H](C)[NH2+]CC1([NH+](C)C)CC1	397827540	487280418	/nfs/dbraw/zinc/28/04/18/487280418.db2.gz	BMAUCEFWRYGVIQ-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1	397827538	487280427	/nfs/dbraw/zinc/28/04/27/487280427.db2.gz	BMAUCEFWRYGVIQ-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](CC)[NH2+]CC1([NH+](C)C)CC1	397854969	487280443	/nfs/dbraw/zinc/28/04/43/487280443.db2.gz	LVLHNGVJKQVPDD-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
C[NH+](C)C1(C[NH2+]CCC(C)(C)C)CC1	397852164	487280500	/nfs/dbraw/zinc/28/05/00/487280500.db2.gz	KMFIHXFSKSRUNU-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)C[NH2+]CC1([NH+](C)C)CC1	397852614	487280510	/nfs/dbraw/zinc/28/05/10/487280510.db2.gz	KOQPZNOTCUGXAM-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H]([NH2+]CC1([NH+](C)C)CC1)C(C)C	397874516	487280539	/nfs/dbraw/zinc/28/05/39/487280539.db2.gz	VCPUSIOJEYSTPM-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)C(C)C	397874515	487280757	/nfs/dbraw/zinc/28/07/57/487280757.db2.gz	VCPUSIOJEYSTPM-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CC1	397823244	487280794	/nfs/dbraw/zinc/28/07/94/487280794.db2.gz	ABKIKBAOAHONHU-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[C@H](C)[NH2+]CC1([NH+](C)C)CC1	397835986	487280801	/nfs/dbraw/zinc/28/08/01/487280801.db2.gz	FFWCYRCYEGJDPS-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CC1	397823246	487280919	/nfs/dbraw/zinc/28/09/19/487280919.db2.gz	ABKIKBAOAHONHU-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)CCC[NH2+]CC1([NH+](C)C)CC1	397914632	487281472	/nfs/dbraw/zinc/28/14/72/487281472.db2.gz	ZUYTXKPKJXQHAN-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
C[NH+](C)C1(C[NH2+]C2CCCCC2)CC1	397919725	487281686	/nfs/dbraw/zinc/28/16/86/487281686.db2.gz	GSNOZMPRNRETST-UHFFFAOYSA-N	2	2	196.338	2.003	20	0		AEADLP
C[NH+](C)CC(C)(C)[NH2+]CCC1CCC1	398686114	487285780	/nfs/dbraw/zinc/28/57/80/487285780.db2.gz	NVJNGBNRMUAVNI-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)[N@H+](CC[NH2+]C(C)(C)C)C1CC1	666623362	487331510	/nfs/dbraw/zinc/33/15/10/487331510.db2.gz	QTUJLQOASLRCLF-UHFFFAOYSA-N	2	2	198.354	2.247	20	0		AEADLP
CC(C)[N@@H+](CC[NH2+]C(C)(C)C)C1CC1	666623362	487331513	/nfs/dbraw/zinc/33/15/13/487331513.db2.gz	QTUJLQOASLRCLF-UHFFFAOYSA-N	2	2	198.354	2.247	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@H]1CCC1(C)C	393677283	582489896	/nfs/dbraw/zinc/48/98/96/582489896.db2.gz	ZDNOLJFPIYWOIQ-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC1(C)C	393677283	582489897	/nfs/dbraw/zinc/48/98/97/582489897.db2.gz	ZDNOLJFPIYWOIQ-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC1(C)C	393677282	582490095	/nfs/dbraw/zinc/49/00/95/582490095.db2.gz	ZDNOLJFPIYWOIQ-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC1(C)C	393677282	582490098	/nfs/dbraw/zinc/49/00/98/582490098.db2.gz	ZDNOLJFPIYWOIQ-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[NH+](CCn1cc[nH+]c1)C(C)C	200571956	582490761	/nfs/dbraw/zinc/49/07/61/582490761.db2.gz	JZBOJXLVEHQOOB-UHFFFAOYSA-N	2	2	195.310	2.002	20	0		AEADLP
CC[C@H]1CCCC[C@H]1[NH2+]CC[NH+](C)C	42579527	582562025	/nfs/dbraw/zinc/56/20/25/582562025.db2.gz	APJIEYKNAZOFSK-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C	42579518	582562226	/nfs/dbraw/zinc/56/22/26/582562226.db2.gz	APJIEYKNAZOFSK-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C	42579521	582562239	/nfs/dbraw/zinc/56/22/39/582562239.db2.gz	APJIEYKNAZOFSK-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H]1CCCC[C@H]1[NH2+]CC[NH+](C)C	42579524	582562460	/nfs/dbraw/zinc/56/24/60/582562460.db2.gz	APJIEYKNAZOFSK-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H]1CCC[NH2+]1	903482916	582625441	/nfs/dbraw/zinc/62/54/41/582625441.db2.gz	YMWROHCAXRRLBS-GHMZBOCLSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@@H]1CCC(C)(C)[N@H+]1C[C@H]1CCC[NH2+]1	903482916	582625442	/nfs/dbraw/zinc/62/54/42/582625442.db2.gz	YMWROHCAXRRLBS-GHMZBOCLSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@H]1CCC(C)(C)[N@@H+]1C[C@H]1CCC[NH2+]1	903482917	582625474	/nfs/dbraw/zinc/62/54/74/582625474.db2.gz	YMWROHCAXRRLBS-WDEREUQCSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@H]1CCC(C)(C)[N@H+]1C[C@H]1CCC[NH2+]1	903482917	582625475	/nfs/dbraw/zinc/62/54/75/582625475.db2.gz	YMWROHCAXRRLBS-WDEREUQCSA-N	2	2	196.338	2.001	20	0		AEADLP
Cc1cc([C@H](C)[NH2+][C@@H](C)C[NH3+])cs1	817970029	583000963	/nfs/dbraw/zinc/00/09/63/583000963.db2.gz	JRDMSBNGEIQTIU-CBAPKCEASA-N	2	2	198.335	2.054	20	0		AEADLP
CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccsc1	817970502	583001036	/nfs/dbraw/zinc/00/10/36/583001036.db2.gz	XSNQVJCDCFQNTO-WPRPVWTQSA-N	2	2	198.335	2.136	20	0		AEADLP
Cc1cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cs1	817970030	583001184	/nfs/dbraw/zinc/00/11/84/583001184.db2.gz	JRDMSBNGEIQTIU-IONNQARKSA-N	2	2	198.335	2.054	20	0		AEADLP
CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccsc1	817970501	583001606	/nfs/dbraw/zinc/00/16/06/583001606.db2.gz	XSNQVJCDCFQNTO-WCBMZHEXSA-N	2	2	198.335	2.136	20	0		AEADLP
CCCC(C)(C)[NH2+]Cc1c[nH+]c[nH]1	123194251	583347362	/nfs/dbraw/zinc/34/73/62/583347362.db2.gz	BCJBOUHCCVILCN-UHFFFAOYSA-N	2	2	181.283	2.078	20	0		AEADLP
CCCCC[C@@H](C)[NH2+]CC[NH+](C)C	20083643	583377625	/nfs/dbraw/zinc/37/76/25/583377625.db2.gz	OKISZEVYOPUKDB-LLVKDONJSA-N	2	2	186.343	2.106	20	0		AEADLP
CCCCC[C@H](C)[NH2+]CC[NH+](C)C	20083646	583377910	/nfs/dbraw/zinc/37/79/10/583377910.db2.gz	OKISZEVYOPUKDB-NSHDSACASA-N	2	2	186.343	2.106	20	0		AEADLP
C[C@H]1CCCC[N@@H+]1CC[NH2+]C(C)(C)C	42302448	490014611	/nfs/dbraw/zinc/01/46/11/490014611.db2.gz	BAWCNSMHBVIIOL-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
C[C@H]1CCCC[N@H+]1CC[NH2+]C(C)(C)C	42302448	490014612	/nfs/dbraw/zinc/01/46/12/490014612.db2.gz	BAWCNSMHBVIIOL-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
C[C@@H]1CCCC[N@@H+]1CC[NH2+]C(C)(C)C	42302445	490014652	/nfs/dbraw/zinc/01/46/52/490014652.db2.gz	BAWCNSMHBVIIOL-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
C[C@@H]1CCCC[N@H+]1CC[NH2+]C(C)(C)C	42302445	490014654	/nfs/dbraw/zinc/01/46/54/490014654.db2.gz	BAWCNSMHBVIIOL-LLVKDONJSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[N@H+](CC[NH2+]C(C)(C)C)C1CC1	42302599	490014668	/nfs/dbraw/zinc/01/46/68/490014668.db2.gz	DPVJFVRBQQJYEG-UHFFFAOYSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[N@@H+](CC[NH2+]C(C)(C)C)C1CC1	42302599	490014671	/nfs/dbraw/zinc/01/46/71/490014671.db2.gz	DPVJFVRBQQJYEG-UHFFFAOYSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC(CC)C[N@H+](CC)C[C@H](C)[NH3+]	42487673	490015225	/nfs/dbraw/zinc/01/52/25/490015225.db2.gz	KMECUOGKNYESNH-JTQLQIEISA-N	2	2	186.343	2.092	20	0		AEADLP
CCC(CC)C[N@@H+](CC)C[C@H](C)[NH3+]	42487673	490015227	/nfs/dbraw/zinc/01/52/27/490015227.db2.gz	KMECUOGKNYESNH-JTQLQIEISA-N	2	2	186.343	2.092	20	0		AEADLP
CCC(CC)C[N@H+](CC)C[C@@H](C)[NH3+]	42487672	490015461	/nfs/dbraw/zinc/01/54/61/490015461.db2.gz	KMECUOGKNYESNH-SNVBAGLBSA-N	2	2	186.343	2.092	20	0		AEADLP
CCC(CC)C[N@@H+](CC)C[C@@H](C)[NH3+]	42487672	490015464	/nfs/dbraw/zinc/01/54/64/490015464.db2.gz	KMECUOGKNYESNH-SNVBAGLBSA-N	2	2	186.343	2.092	20	0		AEADLP
CCC[N@H+](C[C@@H](C)CC)[C@@H]1CC[NH2+]C1	70902066	490017957	/nfs/dbraw/zinc/01/79/57/490017957.db2.gz	WLIBLMKLRKTWGH-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[N@@H+](C[C@@H](C)CC)[C@@H]1CC[NH2+]C1	70902066	490017962	/nfs/dbraw/zinc/01/79/62/490017962.db2.gz	WLIBLMKLRKTWGH-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@H+](CC[NH3+])[C@H](C)c1ccccc1	76581577	490023363	/nfs/dbraw/zinc/02/33/63/490023363.db2.gz	ZFFFKPGMDAFCOV-LLVKDONJSA-N	2	2	192.306	2.028	20	0		AEADLP
CC[N@@H+](CC[NH3+])[C@H](C)c1ccccc1	76581577	490023365	/nfs/dbraw/zinc/02/33/65/490023365.db2.gz	ZFFFKPGMDAFCOV-LLVKDONJSA-N	2	2	192.306	2.028	20	0		AEADLP
CC[N@H+](CC[NH3+])[C@@H](C)c1ccccc1	76581573	490023378	/nfs/dbraw/zinc/02/33/78/490023378.db2.gz	ZFFFKPGMDAFCOV-NSHDSACASA-N	2	2	192.306	2.028	20	0		AEADLP
CC[N@@H+](CC[NH3+])[C@@H](C)c1ccccc1	76581573	490023379	/nfs/dbraw/zinc/02/33/79/490023379.db2.gz	ZFFFKPGMDAFCOV-NSHDSACASA-N	2	2	192.306	2.028	20	0		AEADLP
CC[C@@H](C)C[NH2+]C[C@H](C)[N@H+](C)C1CC1	128906301	490047061	/nfs/dbraw/zinc/04/70/61/490047061.db2.gz	WMHPLHBPDZVKLT-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1	128906301	490047066	/nfs/dbraw/zinc/04/70/66/490047066.db2.gz	WMHPLHBPDZVKLT-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1	128906080	490047141	/nfs/dbraw/zinc/04/71/41/490047141.db2.gz	WMHPLHBPDZVKLT-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1	128906080	490047143	/nfs/dbraw/zinc/04/71/43/490047143.db2.gz	WMHPLHBPDZVKLT-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1	128905868	490047283	/nfs/dbraw/zinc/04/72/83/490047283.db2.gz	WMHPLHBPDZVKLT-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1	128905868	490047286	/nfs/dbraw/zinc/04/72/86/490047286.db2.gz	WMHPLHBPDZVKLT-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)C[NH2+]C[C@H](C)[N@H+](C)C1CC1	128906524	490047420	/nfs/dbraw/zinc/04/74/20/490047420.db2.gz	WMHPLHBPDZVKLT-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1	128906524	490047422	/nfs/dbraw/zinc/04/74/22/490047422.db2.gz	WMHPLHBPDZVKLT-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC[C@H]1C	130160787	490054959	/nfs/dbraw/zinc/05/49/59/490054959.db2.gz	NGWJNLJYZGYCGU-WOPDTQHZSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC[C@@H]1C	130161014	490055090	/nfs/dbraw/zinc/05/50/90/490055090.db2.gz	NGWJNLJYZGYCGU-SRVKXCTJSA-N	2	2	198.354	2.105	20	0		AEADLP
CCCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C	130106129	490055154	/nfs/dbraw/zinc/05/51/54/490055154.db2.gz	DIUXIYKQVHFHCD-MNOVXSKESA-N	2	2	186.343	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@H]1C	130161236	490055282	/nfs/dbraw/zinc/05/52/82/490055282.db2.gz	NGWJNLJYZGYCGU-GRYCIOLGSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@@H]1C	130161466	490055373	/nfs/dbraw/zinc/05/53/73/490055373.db2.gz	NGWJNLJYZGYCGU-SDDRHHMPSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1CCCC1	130073964	490055419	/nfs/dbraw/zinc/05/54/19/490055419.db2.gz	KJWZYQCUUOLWSG-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
CCCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C	130106350	490055435	/nfs/dbraw/zinc/05/54/35/490055435.db2.gz	DIUXIYKQVHFHCD-QWRGUYRKSA-N	2	2	186.343	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCCC1	130073511	490055502	/nfs/dbraw/zinc/05/55/02/490055502.db2.gz	KJWZYQCUUOLWSG-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC(C)(C)C1	130190260	490055945	/nfs/dbraw/zinc/05/59/45/490055945.db2.gz	LZLXKAQIMHPTFB-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+]C1CCCCCC1	130194972	490056039	/nfs/dbraw/zinc/05/60/39/490056039.db2.gz	QPLLFPQFIPZUGN-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC(C)(C)C1	130189834	490056079	/nfs/dbraw/zinc/05/60/79/490056079.db2.gz	LZLXKAQIMHPTFB-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1	130194104	490056097	/nfs/dbraw/zinc/05/60/97/490056097.db2.gz	VOSAEMGQGAICIE-CXQJBGSLSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)C[NH2+]CC[N@H+](CC)C1CC1	221284072	490079053	/nfs/dbraw/zinc/07/90/53/490079053.db2.gz	MGDOENVTWGAIPY-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)C[NH2+]CC[N@@H+](CC)C1CC1	221284072	490079056	/nfs/dbraw/zinc/07/90/56/490079056.db2.gz	MGDOENVTWGAIPY-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)C[NH2+]CC[N@H+](CC)C1CC1	221284015	490079551	/nfs/dbraw/zinc/07/95/51/490079551.db2.gz	MGDOENVTWGAIPY-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)C[NH2+]CC[N@@H+](CC)C1CC1	221284015	490079559	/nfs/dbraw/zinc/07/95/59/490079559.db2.gz	MGDOENVTWGAIPY-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC1	83054508	491023304	/nfs/dbraw/zinc/02/33/04/491023304.db2.gz	WMBCGAALUCQWGE-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]([NH2+]CC[NH+](CC)CC)C1CC1	83054200	491023323	/nfs/dbraw/zinc/02/33/23/491023323.db2.gz	DIPBHKZLESPCEO-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC1	83054509	491023325	/nfs/dbraw/zinc/02/33/25/491023325.db2.gz	WMBCGAALUCQWGE-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]([NH2+]CC[NH+](CC)CC)C1CC1	83054199	491023342	/nfs/dbraw/zinc/02/33/42/491023342.db2.gz	DIPBHKZLESPCEO-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1CC1	83056409	491023540	/nfs/dbraw/zinc/02/35/40/491023540.db2.gz	SRIHNPKMZUQJQQ-GFCCVEGCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1CC1	83056409	491023541	/nfs/dbraw/zinc/02/35/41/491023541.db2.gz	SRIHNPKMZUQJQQ-GFCCVEGCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1CC1	83056408	491023543	/nfs/dbraw/zinc/02/35/43/491023543.db2.gz	SRIHNPKMZUQJQQ-LBPRGKRZSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1CC1	83056408	491023544	/nfs/dbraw/zinc/02/35/44/491023544.db2.gz	SRIHNPKMZUQJQQ-LBPRGKRZSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C	83389886	491023999	/nfs/dbraw/zinc/02/39/99/491023999.db2.gz	OLUCHEHTKJVRPQ-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C	83389889	491024042	/nfs/dbraw/zinc/02/40/42/491024042.db2.gz	OLUCHEHTKJVRPQ-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C	83389888	491024044	/nfs/dbraw/zinc/02/40/44/491024044.db2.gz	OLUCHEHTKJVRPQ-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C	83389887	491024070	/nfs/dbraw/zinc/02/40/70/491024070.db2.gz	OLUCHEHTKJVRPQ-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
CCC(CC)(CC)[NH2+]Cc1c[nH+]c[nH]1	83387955	491024100	/nfs/dbraw/zinc/02/41/00/491024100.db2.gz	HJSMQKHIJBVUAY-UHFFFAOYSA-N	2	2	195.310	2.468	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1C	83391282	491024167	/nfs/dbraw/zinc/02/41/67/491024167.db2.gz	MDFBZGRLJWJWLI-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1C	83391282	491024168	/nfs/dbraw/zinc/02/41/68/491024168.db2.gz	MDFBZGRLJWJWLI-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1C	83391284	491024182	/nfs/dbraw/zinc/02/41/82/491024182.db2.gz	MDFBZGRLJWJWLI-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1C	83391284	491024183	/nfs/dbraw/zinc/02/41/83/491024183.db2.gz	MDFBZGRLJWJWLI-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1C	83391283	491024200	/nfs/dbraw/zinc/02/42/00/491024200.db2.gz	MDFBZGRLJWJWLI-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1C	83391283	491024201	/nfs/dbraw/zinc/02/42/01/491024201.db2.gz	MDFBZGRLJWJWLI-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1C	83391280	491024210	/nfs/dbraw/zinc/02/42/10/491024210.db2.gz	MDFBZGRLJWJWLI-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1C	83391280	491024211	/nfs/dbraw/zinc/02/42/11/491024211.db2.gz	MDFBZGRLJWJWLI-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CCCCC[C@@H]1[NH2+]CC[NH+](C)C	83949194	491025834	/nfs/dbraw/zinc/02/58/34/491025834.db2.gz	XWWDKIWTQMMANF-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@H]1CCCCC[C@H]1[NH2+]CC[NH+](C)C	83949196	491025857	/nfs/dbraw/zinc/02/58/57/491025857.db2.gz	XWWDKIWTQMMANF-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H]1CCCCC[C@H]1[NH2+]CC[NH+](C)C	83949195	491025896	/nfs/dbraw/zinc/02/58/96/491025896.db2.gz	XWWDKIWTQMMANF-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H]1CCCCC[C@@H]1[NH2+]CC[NH+](C)C	83949193	491025902	/nfs/dbraw/zinc/02/59/02/491025902.db2.gz	XWWDKIWTQMMANF-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC1(C)C	130385630	491033701	/nfs/dbraw/zinc/03/37/01/491033701.db2.gz	SDOYXUKKHZGVEN-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1	130516968	491034040	/nfs/dbraw/zinc/03/40/40/491034040.db2.gz	VUKXBJJNYNWKTQ-KOLCDFICSA-N	2	2	193.294	2.078	20	0		AEADLP
CC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1	130517184	491034063	/nfs/dbraw/zinc/03/40/63/491034063.db2.gz	VUKXBJJNYNWKTQ-ONGXEEELSA-N	2	2	193.294	2.078	20	0		AEADLP
C[NH+](C)CC[NH2+][C@H]1CCCCC1(C)C	86842025	491029526	/nfs/dbraw/zinc/02/95/26/491029526.db2.gz	HXPAJQYXUZYYDY-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
C[NH+](C)CC[NH2+][C@@H]1CCCCC1(C)C	86842028	491029541	/nfs/dbraw/zinc/02/95/41/491029541.db2.gz	HXPAJQYXUZYYDY-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@H](C[NH2+][C@H]1CCCC1(C)C)[NH+](C)C	86856900	491029654	/nfs/dbraw/zinc/02/96/54/491029654.db2.gz	CSFCSELAKHGTHP-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H](C[NH2+][C@@H]1CCCC1(C)C)[NH+](C)C	86856898	491029675	/nfs/dbraw/zinc/02/96/75/491029675.db2.gz	CSFCSELAKHGTHP-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
CC1(C)CC[N@@H+](CC[NH2+]C(C)(C)C)C1	87252038	491030068	/nfs/dbraw/zinc/03/00/68/491030068.db2.gz	BIUWZMITTQLQEY-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CC1(C)CC[N@H+](CC[NH2+]C(C)(C)C)C1	87252038	491030069	/nfs/dbraw/zinc/03/00/69/491030069.db2.gz	BIUWZMITTQLQEY-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC1(CC)CC[N@H+](CC(C)(C)[NH3+])C1	87255305	491030169	/nfs/dbraw/zinc/03/01/69/491030169.db2.gz	TWVLWHFZVDWWCJ-UHFFFAOYSA-N	2	2	198.354	2.236	20	0		AEADLP
CCC1(CC)CC[N@@H+](CC(C)(C)[NH3+])C1	87255305	491030170	/nfs/dbraw/zinc/03/01/70/491030170.db2.gz	TWVLWHFZVDWWCJ-UHFFFAOYSA-N	2	2	198.354	2.236	20	0		AEADLP
CC(C)C[N@H+](C[C@@H](C)[NH3+])C1CCCC1	87286644	491030249	/nfs/dbraw/zinc/03/02/49/491030249.db2.gz	DCTBWIQQLVQKJB-LLVKDONJSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[N@@H+](C[C@@H](C)[NH3+])C1CCCC1	87286644	491030250	/nfs/dbraw/zinc/03/02/50/491030250.db2.gz	DCTBWIQQLVQKJB-LLVKDONJSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[N@H+](C[C@H](C)[NH3+])C1CCCC1	87286645	491030342	/nfs/dbraw/zinc/03/03/42/491030342.db2.gz	DCTBWIQQLVQKJB-NSHDSACASA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[N@@H+](C[C@H](C)[NH3+])C1CCCC1	87286645	491030343	/nfs/dbraw/zinc/03/03/43/491030343.db2.gz	DCTBWIQQLVQKJB-NSHDSACASA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[NH+](C)C	87771221	491031878	/nfs/dbraw/zinc/03/18/78/491031878.db2.gz	YKRXCVAMSRNBRA-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[NH+](C)C	87771217	491031925	/nfs/dbraw/zinc/03/19/25/491031925.db2.gz	YKRXCVAMSRNBRA-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1	130246382	491033456	/nfs/dbraw/zinc/03/34/56/491033456.db2.gz	OAZWLOJISPSAHZ-SDDRHHMPSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C)C1	130245766	491033459	/nfs/dbraw/zinc/03/34/59/491033459.db2.gz	OAZWLOJISPSAHZ-WOPDTQHZSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C)C1	130246190	491033500	/nfs/dbraw/zinc/03/35/00/491033500.db2.gz	OAZWLOJISPSAHZ-GRYCIOLGSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1	130245971	491033504	/nfs/dbraw/zinc/03/35/04/491033504.db2.gz	OAZWLOJISPSAHZ-SRVKXCTJSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC1(C)C	130385246	491033703	/nfs/dbraw/zinc/03/37/03/491033703.db2.gz	SDOYXUKKHZGVEN-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1	130517572	491034023	/nfs/dbraw/zinc/03/40/23/491034023.db2.gz	VUKXBJJNYNWKTQ-GXSJLCMTSA-N	2	2	193.294	2.078	20	0		AEADLP
CC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1	130517407	491034026	/nfs/dbraw/zinc/03/40/26/491034026.db2.gz	VUKXBJJNYNWKTQ-MWLCHTKSSA-N	2	2	193.294	2.078	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC1CC1	133144562	491037376	/nfs/dbraw/zinc/03/73/76/491037376.db2.gz	AXUKCUOMPURBTH-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC1CC1	133144562	491037377	/nfs/dbraw/zinc/03/73/77/491037377.db2.gz	AXUKCUOMPURBTH-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC1CC1	133144794	491037403	/nfs/dbraw/zinc/03/74/03/491037403.db2.gz	AXUKCUOMPURBTH-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@H](C)CC1CC1	133144794	491037404	/nfs/dbraw/zinc/03/74/04/491037404.db2.gz	AXUKCUOMPURBTH-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C	133295210	491037444	/nfs/dbraw/zinc/03/74/44/491037444.db2.gz	CYEDUDYEQBVKPF-IJLUTSLNSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](CC1CCC1)[NH2+]C[C@@H](C)[NH+](C)C	133290683	491037446	/nfs/dbraw/zinc/03/74/46/491037446.db2.gz	WTCRSOQAHGDDHC-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C(C)(C)C	133307943	491037481	/nfs/dbraw/zinc/03/74/81/491037481.db2.gz	IHYUEHAXYWBDKM-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C(C)(C)C	133307943	491037482	/nfs/dbraw/zinc/03/74/82/491037482.db2.gz	IHYUEHAXYWBDKM-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C(C)(C)C	133307530	491037486	/nfs/dbraw/zinc/03/74/86/491037486.db2.gz	IHYUEHAXYWBDKM-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C(C)(C)C	133307530	491037487	/nfs/dbraw/zinc/03/74/87/491037487.db2.gz	IHYUEHAXYWBDKM-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H](CC1CCC1)[NH2+]C[C@@H](C)[NH+](C)C	133290892	491037494	/nfs/dbraw/zinc/03/74/94/491037494.db2.gz	WTCRSOQAHGDDHC-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C(C)(C)C	133308138	491037497	/nfs/dbraw/zinc/03/74/97/491037497.db2.gz	IHYUEHAXYWBDKM-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C(C)(C)C	133308138	491037498	/nfs/dbraw/zinc/03/74/98/491037498.db2.gz	IHYUEHAXYWBDKM-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C	133294807	491037512	/nfs/dbraw/zinc/03/75/12/491037512.db2.gz	CYEDUDYEQBVKPF-UTUOFQBUSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)[NH2+]CCc1cc[nH+]cc1C	131466075	491034870	/nfs/dbraw/zinc/03/48/70/491034870.db2.gz	LTSGQQJVHKFRQC-NSHDSACASA-N	2	2	192.306	2.321	20	0		AEADLP
CC[C@@H](C)[NH2+]CCc1cc[nH+]cc1C	131465894	491034909	/nfs/dbraw/zinc/03/49/09/491034909.db2.gz	LTSGQQJVHKFRQC-LLVKDONJSA-N	2	2	192.306	2.321	20	0		AEADLP
C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C(C)(C)C	133307747	491037558	/nfs/dbraw/zinc/03/75/58/491037558.db2.gz	IHYUEHAXYWBDKM-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C(C)(C)C	133307747	491037559	/nfs/dbraw/zinc/03/75/59/491037559.db2.gz	IHYUEHAXYWBDKM-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
CCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1	131917385	491035503	/nfs/dbraw/zinc/03/55/03/491035503.db2.gz	UZNNOTMZGWSZGJ-QWRGUYRKSA-N	2	2	196.338	2.001	20	0		AEADLP
CCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1	131917385	491035504	/nfs/dbraw/zinc/03/55/04/491035504.db2.gz	UZNNOTMZGWSZGJ-QWRGUYRKSA-N	2	2	196.338	2.001	20	0		AEADLP
CCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1	131917809	491035536	/nfs/dbraw/zinc/03/55/36/491035536.db2.gz	UZNNOTMZGWSZGJ-MNOVXSKESA-N	2	2	196.338	2.001	20	0		AEADLP
CCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1	131917809	491035537	/nfs/dbraw/zinc/03/55/37/491035537.db2.gz	UZNNOTMZGWSZGJ-MNOVXSKESA-N	2	2	196.338	2.001	20	0		AEADLP
CCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	131917198	491035539	/nfs/dbraw/zinc/03/55/39/491035539.db2.gz	UZNNOTMZGWSZGJ-WDEREUQCSA-N	2	2	196.338	2.001	20	0		AEADLP
CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1	131917198	491035540	/nfs/dbraw/zinc/03/55/40/491035540.db2.gz	UZNNOTMZGWSZGJ-WDEREUQCSA-N	2	2	196.338	2.001	20	0		AEADLP
CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	131917587	491035587	/nfs/dbraw/zinc/03/55/87/491035587.db2.gz	UZNNOTMZGWSZGJ-GHMZBOCLSA-N	2	2	196.338	2.001	20	0		AEADLP
CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1	131917587	491035588	/nfs/dbraw/zinc/03/55/88/491035588.db2.gz	UZNNOTMZGWSZGJ-GHMZBOCLSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@H](CC1CC1)[NH2+]CC(C)(C)[NH+](C)C	132048583	491035851	/nfs/dbraw/zinc/03/58/51/491035851.db2.gz	RUZCUIQJGLDWQL-SNVBAGLBSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](CC1CC1)[NH2+]CC(C)(C)[NH+](C)C	132048363	491035869	/nfs/dbraw/zinc/03/58/69/491035869.db2.gz	RUZCUIQJGLDWQL-JTQLQIEISA-N	2	2	198.354	2.105	20	0		AEADLP
CCC[C@@H](CC)[NH2+]CCn1cc[nH+]c1	132676610	491036638	/nfs/dbraw/zinc/03/66/38/491036638.db2.gz	PSUMWSGEDOQWHE-LLVKDONJSA-N	2	2	195.310	2.051	20	0		AEADLP
CCC[C@H](CC)[NH2+]CC[NH+]1CCCC1	132685810	491036644	/nfs/dbraw/zinc/03/66/44/491036644.db2.gz	DDJDUWFLRXTCMO-LBPRGKRZSA-N	2	2	198.354	2.251	20	0		AEADLP
CCC[C@@H](CC)[NH2+]CC[NH+]1CCCC1	132685617	491036681	/nfs/dbraw/zinc/03/66/81/491036681.db2.gz	DDJDUWFLRXTCMO-GFCCVEGCSA-N	2	2	198.354	2.251	20	0		AEADLP
CCC[C@H](CC)[NH2+]CCn1cc[nH+]c1	132676826	491036707	/nfs/dbraw/zinc/03/67/07/491036707.db2.gz	PSUMWSGEDOQWHE-NSHDSACASA-N	2	2	195.310	2.051	20	0		AEADLP
CCC[C@H](CC)[NH2+]C[C@@H](C)[NH+](C)C	132740272	491036789	/nfs/dbraw/zinc/03/67/89/491036789.db2.gz	QQQFZSKMSDBOHY-MNOVXSKESA-N	2	2	186.343	2.105	20	0		AEADLP
CCC[C@@H](CC)[NH2+]C[C@@H](C)[NH+](C)C	132740063	491036797	/nfs/dbraw/zinc/03/67/97/491036797.db2.gz	QQQFZSKMSDBOHY-GHMZBOCLSA-N	2	2	186.343	2.105	20	0		AEADLP
CCC[C@@H](CC)[NH2+]C[C@H](C)[NH+](C)C	132740488	491036828	/nfs/dbraw/zinc/03/68/28/491036828.db2.gz	QQQFZSKMSDBOHY-WDEREUQCSA-N	2	2	186.343	2.105	20	0		AEADLP
CCC[C@H](CC)[NH2+]C[C@H](C)[NH+](C)C	132740686	491036833	/nfs/dbraw/zinc/03/68/33/491036833.db2.gz	QQQFZSKMSDBOHY-QWRGUYRKSA-N	2	2	186.343	2.105	20	0		AEADLP
CC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1	224934053	491042052	/nfs/dbraw/zinc/04/20/52/491042052.db2.gz	LYISHIFDHUPBCF-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1	224934053	491042053	/nfs/dbraw/zinc/04/20/53/491042053.db2.gz	LYISHIFDHUPBCF-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1	224934094	491042062	/nfs/dbraw/zinc/04/20/62/491042062.db2.gz	LYISHIFDHUPBCF-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1	224934094	491042063	/nfs/dbraw/zinc/04/20/63/491042063.db2.gz	LYISHIFDHUPBCF-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1	226790864	491043068	/nfs/dbraw/zinc/04/30/68/491043068.db2.gz	VBHBDEIDAGSICU-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1	226790864	491043069	/nfs/dbraw/zinc/04/30/69/491043069.db2.gz	VBHBDEIDAGSICU-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1	226790856	491043096	/nfs/dbraw/zinc/04/30/96/491043096.db2.gz	VBHBDEIDAGSICU-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1	226790856	491043097	/nfs/dbraw/zinc/04/30/97/491043097.db2.gz	VBHBDEIDAGSICU-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H](CC1CCC1)[NH2+][C@@H](C)C[NH+](C)C	229701722	491045640	/nfs/dbraw/zinc/04/56/40/491045640.db2.gz	QUNARPKSSBWDJG-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CC1CCC1	229701730	491045682	/nfs/dbraw/zinc/04/56/82/491045682.db2.gz	QUNARPKSSBWDJG-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
CC[NH+](CC)CC[NH2+]C1CC(C)(C)C1	308531528	491110611	/nfs/dbraw/zinc/11/06/11/491110611.db2.gz	RTPZERMHUCPASR-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H]1CC[C@@H]1[NH2+]CC[NH+](CC)CC	308623685	491114855	/nfs/dbraw/zinc/11/48/55/491114855.db2.gz	VCUQDAROSQZSMH-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H]1CC[C@H]1[NH2+]CC[NH+](CC)CC	308623689	491114870	/nfs/dbraw/zinc/11/48/70/491114870.db2.gz	VCUQDAROSQZSMH-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H]1CC[C@@H]1[NH2+]CC[NH+](CC)CC	308623688	491114893	/nfs/dbraw/zinc/11/48/93/491114893.db2.gz	VCUQDAROSQZSMH-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H]1CC[C@H]1[NH2+]CC[NH+](CC)CC	308623686	491114903	/nfs/dbraw/zinc/11/49/03/491114903.db2.gz	VCUQDAROSQZSMH-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@@H]1CCC1(C)C	308560267	491111695	/nfs/dbraw/zinc/11/16/95/491111695.db2.gz	WWOLLHJPMROQSS-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@H]1CCC1(C)C	308560268	491111741	/nfs/dbraw/zinc/11/17/41/491111741.db2.gz	WWOLLHJPMROQSS-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)=CCC[C@H](C)[NH2+]CC[NH+](C)C	308649884	491116064	/nfs/dbraw/zinc/11/60/64/491116064.db2.gz	JPGAOFUPGVBTLX-LBPRGKRZSA-N	2	2	198.354	2.273	20	0		AEADLP
CC(C)=CCC[C@@H](C)[NH2+]CC[NH+](C)C	308649878	491116083	/nfs/dbraw/zinc/11/60/83/491116083.db2.gz	JPGAOFUPGVBTLX-GFCCVEGCSA-N	2	2	198.354	2.273	20	0		AEADLP
C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[NH+](C)C	308674320	491117127	/nfs/dbraw/zinc/11/71/27/491117127.db2.gz	VUMUXIHNWLYMJZ-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](CCC1CC1)[NH2+]C[C@@H](C)[NH+](C)C	308674323	491117172	/nfs/dbraw/zinc/11/71/72/491117172.db2.gz	VUMUXIHNWLYMJZ-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[NH+](C)C	308761763	491118947	/nfs/dbraw/zinc/11/89/47/491118947.db2.gz	YFIKXYHLTWDKMF-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)[NH+](C)C	308761777	491118967	/nfs/dbraw/zinc/11/89/67/491118967.db2.gz	YFIKXYHLTWDKMF-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C	308761772	491118997	/nfs/dbraw/zinc/11/89/97/491118997.db2.gz	YFIKXYHLTWDKMF-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C	308761766	491119005	/nfs/dbraw/zinc/11/90/05/491119005.db2.gz	YFIKXYHLTWDKMF-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
CC[N@H+](CC[NH2+]CCC(C)C)C1CC1	53377190	1188769730	/nfs/dbraw/zinc/76/97/30/1188769730.db2.gz	TYUKFFFSZNWTGD-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@@H+](CC[NH2+]CCC(C)C)C1CC1	53377190	1188769732	/nfs/dbraw/zinc/76/97/32/1188769732.db2.gz	TYUKFFFSZNWTGD-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)CC[NH2+]C[C@@H](C)[N@H+](C)C1CC1	53489407	1188769939	/nfs/dbraw/zinc/76/99/39/1188769939.db2.gz	NIGIOZJCJJLQML-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)CC[NH2+]C[C@@H](C)[N@@H+](C)C1CC1	53489407	1188769942	/nfs/dbraw/zinc/76/99/42/1188769942.db2.gz	NIGIOZJCJJLQML-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)CC[NH2+]C[C@H](C)[N@H+](C)C1CC1	53489409	1188770626	/nfs/dbraw/zinc/77/06/26/1188770626.db2.gz	NIGIOZJCJJLQML-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)CC[NH2+]C[C@H](C)[N@@H+](C)C1CC1	53489409	1188770630	/nfs/dbraw/zinc/77/06/30/1188770630.db2.gz	NIGIOZJCJJLQML-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
C[NH2+]CC[N@H+](C)CCCC1CCCC1	162927734	697668617	/nfs/dbraw/zinc/66/86/17/697668617.db2.gz	WGWXAPPFVVYEFM-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
C[NH2+]CC[N@@H+](C)CCCC1CCCC1	162927734	697668619	/nfs/dbraw/zinc/66/86/19/697668619.db2.gz	WGWXAPPFVVYEFM-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CC[C@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CCC[NH2+]1	227650387	697698010	/nfs/dbraw/zinc/69/80/10/697698010.db2.gz	ZKKJJLGSSPLWHO-UTUOFQBUSA-N	2	2	196.338	2.001	20	0		AEADLP
CC[C@H]1CC[C@@H](C)[N@H+]1C[C@H]1CCC[NH2+]1	227650387	697698012	/nfs/dbraw/zinc/69/80/12/697698012.db2.gz	ZKKJJLGSSPLWHO-UTUOFQBUSA-N	2	2	196.338	2.001	20	0		AEADLP
CC[C@H]1CC[C@H](C)[N@@H+]1C[C@H]1CCC[NH2+]1	227650392	697698259	/nfs/dbraw/zinc/69/82/59/697698259.db2.gz	ZKKJJLGSSPLWHO-TUAOUCFPSA-N	2	2	196.338	2.001	20	0		AEADLP
CC[C@H]1CC[C@H](C)[N@H+]1C[C@H]1CCC[NH2+]1	227650392	697698262	/nfs/dbraw/zinc/69/82/62/697698262.db2.gz	ZKKJJLGSSPLWHO-TUAOUCFPSA-N	2	2	196.338	2.001	20	0		AEADLP
CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CCC[NH2+]1	227650391	697698297	/nfs/dbraw/zinc/69/82/97/697698297.db2.gz	ZKKJJLGSSPLWHO-QJPTWQEYSA-N	2	2	196.338	2.001	20	0		AEADLP
CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CCC[NH2+]1	227650391	697698301	/nfs/dbraw/zinc/69/83/01/697698301.db2.gz	ZKKJJLGSSPLWHO-QJPTWQEYSA-N	2	2	196.338	2.001	20	0		AEADLP
CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CCC[NH2+]1	227650381	697698374	/nfs/dbraw/zinc/69/83/74/697698374.db2.gz	ZKKJJLGSSPLWHO-IJLUTSLNSA-N	2	2	196.338	2.001	20	0		AEADLP
CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H]1CCC[NH2+]1	227650381	697698376	/nfs/dbraw/zinc/69/83/76/697698376.db2.gz	ZKKJJLGSSPLWHO-IJLUTSLNSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC(CC)[NH2+]CCCn1cc[nH+]c1	26516590	343089599	/nfs/dbraw/zinc/08/95/99/343089599.db2.gz	GRCVNBPYFCYAJI-UHFFFAOYSA-N	2	2	195.310	2.051	20	0		AEADLP
C[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1	54764020	343328857	/nfs/dbraw/zinc/32/88/57/343328857.db2.gz	SDDSREHYQFMNAY-UWVGGRQHSA-N	2	2	193.294	2.078	20	0		AEADLP
CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C	132712981	343902997	/nfs/dbraw/zinc/90/29/97/343902997.db2.gz	CWSMZNDHHPLYFK-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C	132712981	343902998	/nfs/dbraw/zinc/90/29/98/343902998.db2.gz	CWSMZNDHHPLYFK-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C	132713176	343903000	/nfs/dbraw/zinc/90/30/00/343903000.db2.gz	CWSMZNDHHPLYFK-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C	132713176	343903001	/nfs/dbraw/zinc/90/30/01/343903001.db2.gz	CWSMZNDHHPLYFK-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
C1CCC([NH2+]CC[NH+]2CCCC2)CC1	20126982	166087759	/nfs/dbraw/zinc/08/77/59/166087759.db2.gz	KXXGSBJXTRIXEF-UHFFFAOYSA-N	2	2	196.338	2.005	20	0		AEADLP
C1CCC[NH+](C[C@H]2CCC[NH2+]2)CCC1	20266253	166089697	/nfs/dbraw/zinc/08/96/97/166089697.db2.gz	KMWWOSUXJIVTFW-GFCCVEGCSA-N	2	2	196.338	2.005	20	0		AEADLP
CC(C)(C)CC[NH2+]CC[NH+]1CCCC1	49900345	166351355	/nfs/dbraw/zinc/35/13/55/166351355.db2.gz	DSHMAFZGGURRMD-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)C1	68987011	166925082	/nfs/dbraw/zinc/92/50/82/166925082.db2.gz	NYGYXTUJFTXPPO-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C1	68987011	166925085	/nfs/dbraw/zinc/92/50/85/166925085.db2.gz	NYGYXTUJFTXPPO-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC[C@@H](C)[NH2+]CC[NH+](CC)CC	19919673	167034426	/nfs/dbraw/zinc/03/44/26/167034426.db2.gz	GCLBUXXJSQUWRJ-LLVKDONJSA-N	2	2	186.343	2.106	20	0		AEADLP
CCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1	26516592	167034604	/nfs/dbraw/zinc/03/46/04/167034604.db2.gz	PNFAKOJIBQYAEP-LLVKDONJSA-N	2	2	195.310	2.051	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1	44685112	167035578	/nfs/dbraw/zinc/03/55/78/167035578.db2.gz	LDSHSZYVJCFXGN-GHMZBOCLSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1	44685112	167035580	/nfs/dbraw/zinc/03/55/80/167035580.db2.gz	LDSHSZYVJCFXGN-GHMZBOCLSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1	44685118	167036639	/nfs/dbraw/zinc/03/66/39/167036639.db2.gz	LDSHSZYVJCFXGN-MNOVXSKESA-N	2	2	196.338	2.001	20	0		AEADLP
CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1	44685118	167036642	/nfs/dbraw/zinc/03/66/42/167036642.db2.gz	LDSHSZYVJCFXGN-MNOVXSKESA-N	2	2	196.338	2.001	20	0		AEADLP
CCC[C@H](C)[NH2+]CC[NH+](CC)CC	19919675	167069572	/nfs/dbraw/zinc/06/95/72/167069572.db2.gz	GCLBUXXJSQUWRJ-NSHDSACASA-N	2	2	186.343	2.106	20	0		AEADLP
CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1	44685115	167069957	/nfs/dbraw/zinc/06/99/57/167069957.db2.gz	LDSHSZYVJCFXGN-WDEREUQCSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1	44685115	167069961	/nfs/dbraw/zinc/06/99/61/167069961.db2.gz	LDSHSZYVJCFXGN-WDEREUQCSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1	44685120	167071481	/nfs/dbraw/zinc/07/14/81/167071481.db2.gz	LDSHSZYVJCFXGN-QWRGUYRKSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1	44685120	167071485	/nfs/dbraw/zinc/07/14/85/167071485.db2.gz	LDSHSZYVJCFXGN-QWRGUYRKSA-N	2	2	196.338	2.001	20	0		AEADLP
CCC[C@H](C)[NH2+]CCCn1cc[nH+]c1	26516593	167071621	/nfs/dbraw/zinc/07/16/21/167071621.db2.gz	PNFAKOJIBQYAEP-NSHDSACASA-N	2	2	195.310	2.051	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]1C	70830756	167165244	/nfs/dbraw/zinc/16/52/44/167165244.db2.gz	FAMCKHPUAHEUMN-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H]1C	70830761	167165688	/nfs/dbraw/zinc/16/56/88/167165688.db2.gz	FAMCKHPUAHEUMN-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@H]1CC[C@H](C)C1	70748170	167166112	/nfs/dbraw/zinc/16/61/12/167166112.db2.gz	XCUUPCKLHAVKBQ-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](C)C1	70748171	167166824	/nfs/dbraw/zinc/16/68/24/167166824.db2.gz	XCUUPCKLHAVKBQ-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](C)C1	70748168	167166992	/nfs/dbraw/zinc/16/69/92/167166992.db2.gz	XCUUPCKLHAVKBQ-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H](C)C1	70748172	167167060	/nfs/dbraw/zinc/16/70/60/167167060.db2.gz	XCUUPCKLHAVKBQ-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H]1C	70830754	167167075	/nfs/dbraw/zinc/16/70/75/167167075.db2.gz	FAMCKHPUAHEUMN-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]1C	70830749	167167924	/nfs/dbraw/zinc/16/79/24/167167924.db2.gz	FAMCKHPUAHEUMN-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCCC1	19959641	167208190	/nfs/dbraw/zinc/20/81/90/167208190.db2.gz	VJLLRBOUJZEHMY-GFCCVEGCSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCCC1	19959641	167208193	/nfs/dbraw/zinc/20/81/93/167208193.db2.gz	VJLLRBOUJZEHMY-GFCCVEGCSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCCC1	19959645	167208555	/nfs/dbraw/zinc/20/85/55/167208555.db2.gz	VJLLRBOUJZEHMY-LBPRGKRZSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[N@H+]1CCC[C@H]1C[NH2+]C1CCCC1	19959645	167208557	/nfs/dbraw/zinc/20/85/57/167208557.db2.gz	VJLLRBOUJZEHMY-LBPRGKRZSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C1	39117580	167222214	/nfs/dbraw/zinc/22/22/14/167222214.db2.gz	QMMURUGFDKJJGC-LBPRGKRZSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C1	39117580	167222217	/nfs/dbraw/zinc/22/22/17/167222217.db2.gz	QMMURUGFDKJJGC-LBPRGKRZSA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@@H](C[NH2+]C1CCCCCC1)[NH+](C)C	38088978	168347735	/nfs/dbraw/zinc/34/77/35/168347735.db2.gz	AEXYMJDXJSDVRB-NSHDSACASA-N	2	2	198.354	2.249	20	0		AEADLP
C[C@@H]([N@H+](C)CC(C)(C)[NH3+])C(C)(C)C	42781598	168355971	/nfs/dbraw/zinc/35/59/71/168355971.db2.gz	BLKWHQYSCLSNKF-SECBINFHSA-N	2	2	186.343	2.090	20	0		AEADLP
C[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C(C)(C)C	42781598	168355972	/nfs/dbraw/zinc/35/59/72/168355972.db2.gz	BLKWHQYSCLSNKF-SECBINFHSA-N	2	2	186.343	2.090	20	0		AEADLP
C[C@@H]([NH2+]CC[NH+](C)C)C1CCCCC1	37184081	168380626	/nfs/dbraw/zinc/38/06/26/168380626.db2.gz	DIPXPRUVIRMJEK-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
[NH3+]CCCCCCNc1cccc[nH+]1	100674550	169180110	/nfs/dbraw/zinc/18/01/10/169180110.db2.gz	CYYIPQZSUQLVQB-UHFFFAOYSA-N	2	2	193.294	2.013	20	0		AEADLP
[NH3+]Cc1ccc(Nc2cccc[nH+]2)cc1	82655824	169223738	/nfs/dbraw/zinc/22/37/38/169223738.db2.gz	BTEUQJUOWGXDJC-UHFFFAOYSA-N	2	2	199.257	2.284	20	0		AEADLP
[NH3+]Cc1cccc(Nc2cccc[nH+]2)c1	70162714	169224589	/nfs/dbraw/zinc/22/45/89/169224589.db2.gz	LPDOUULZFPAOEJ-UHFFFAOYSA-N	2	2	199.257	2.284	20	0		AEADLP
C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C	166884129	344291791	/nfs/dbraw/zinc/29/17/91/344291791.db2.gz	HVSDXRZYPCOKNL-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
C[N@H+](CC1CC(C)(C)C1)CC(C)(C)[NH3+]	629548830	347348119	/nfs/dbraw/zinc/34/81/19/347348119.db2.gz	ZKIHGZFYDWJQBZ-UHFFFAOYSA-N	2	2	198.354	2.092	20	0		AEADLP
CCCCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+]	63192076	409407556	/nfs/dbraw/zinc/40/75/56/409407556.db2.gz	BEGITXMVCZJJLG-NEPJUHHUSA-N	2	2	198.354	2.378	20	0		AEADLP
C[NH+](C)C(C)(C)C[NH2+]C1CCCCC1	20125922	343067561	/nfs/dbraw/zinc/06/75/61/343067561.db2.gz	GMYZJWQPLNGEOT-UHFFFAOYSA-N	2	2	198.354	2.249	20	0		AEADLP
CCC(CC)C[NH2+]CC[NH+]1CCCC1	20126779	343067829	/nfs/dbraw/zinc/06/78/29/343067829.db2.gz	FOJFZRSWZVZADC-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
C[N@H+](CC(C)(C)[NH3+])C1CCCCCC1	40926008	343224683	/nfs/dbraw/zinc/22/46/83/343224683.db2.gz	APOKOYPBNCXMOL-UHFFFAOYSA-N	2	2	198.354	2.378	20	0		AEADLP
C[N@@H+](CC(C)(C)[NH3+])C1CCCCCC1	40926008	343224685	/nfs/dbraw/zinc/22/46/85/343224685.db2.gz	APOKOYPBNCXMOL-UHFFFAOYSA-N	2	2	198.354	2.378	20	0		AEADLP
CC1CCC([N@H+](C)CC(C)(C)[NH3+])CC1	42488244	343244230	/nfs/dbraw/zinc/24/42/30/343244230.db2.gz	YKSFRLGOLVVUAI-UHFFFAOYSA-N	2	2	198.354	2.234	20	0		AEADLP
CC1CCC([N@@H+](C)CC(C)(C)[NH3+])CC1	42488244	343244232	/nfs/dbraw/zinc/24/42/32/343244232.db2.gz	YKSFRLGOLVVUAI-UHFFFAOYSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]1CCC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1	42495782	343244802	/nfs/dbraw/zinc/24/48/02/343244802.db2.gz	SSUWYTOQYWVCJU-WDEREUQCSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]1CCC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1	42495782	343244805	/nfs/dbraw/zinc/24/48/05/343244805.db2.gz	SSUWYTOQYWVCJU-WDEREUQCSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]1CCC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1	42495778	343244940	/nfs/dbraw/zinc/24/49/40/343244940.db2.gz	SSUWYTOQYWVCJU-QWRGUYRKSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]1CCC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1	42495778	343244942	/nfs/dbraw/zinc/24/49/42/343244942.db2.gz	SSUWYTOQYWVCJU-QWRGUYRKSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+]C1CCCCC1	53341552	343314579	/nfs/dbraw/zinc/31/45/79/343314579.db2.gz	OFIIEOFOWZUNIJ-UHFFFAOYSA-N	2	2	198.354	2.249	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+]C1CCCCC1	53341552	343314581	/nfs/dbraw/zinc/31/45/81/343314581.db2.gz	OFIIEOFOWZUNIJ-UHFFFAOYSA-N	2	2	198.354	2.249	20	0		AEADLP
C[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1	54763297	343328467	/nfs/dbraw/zinc/32/84/67/343328467.db2.gz	WEQUWPGMDFVYJA-GXSJLCMTSA-N	2	2	193.294	2.078	20	0		AEADLP
C[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1	54763291	343328483	/nfs/dbraw/zinc/32/84/83/343328483.db2.gz	WEQUWPGMDFVYJA-ONGXEEELSA-N	2	2	193.294	2.078	20	0		AEADLP
CC1([NH2+]Cc2c[nH+]c[nH]2)CCCCC1	54765284	343328651	/nfs/dbraw/zinc/32/86/51/343328651.db2.gz	USHODUZTEPBOJI-UHFFFAOYSA-N	2	2	193.294	2.222	20	0		AEADLP
C[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1	54764025	343328702	/nfs/dbraw/zinc/32/87/02/343328702.db2.gz	SDDSREHYQFMNAY-VHSXEESVSA-N	2	2	193.294	2.078	20	0		AEADLP
C[C@H]1CC[C@@H]([NH+]2CCCCCC2)C[NH2+]1	62948585	343387058	/nfs/dbraw/zinc/38/70/58/343387058.db2.gz	OEVARUROUCBVJX-NWDGAFQWSA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@H]1CC[C@H]([NH+]2CCCCCC2)C[NH2+]1	62948583	343387105	/nfs/dbraw/zinc/38/71/05/343387105.db2.gz	OEVARUROUCBVJX-RYUDHWBXSA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@@H]1CC[C@H]([NH+]2CCCCCC2)C[NH2+]1	62948582	343387123	/nfs/dbraw/zinc/38/71/23/343387123.db2.gz	OEVARUROUCBVJX-NEPJUHHUSA-N	2	2	196.338	2.003	20	0		AEADLP
C[C@@H]1CC[C@@H]([NH+]2CCCCCC2)C[NH2+]1	62948584	343387408	/nfs/dbraw/zinc/38/74/08/343387408.db2.gz	OEVARUROUCBVJX-VXGBXAGGSA-N	2	2	196.338	2.003	20	0		AEADLP
CCCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](C)C1	68987014	343419620	/nfs/dbraw/zinc/41/96/20/343419620.db2.gz	NYGYXTUJFTXPPO-NEPJUHHUSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C)C1	68987014	343419622	/nfs/dbraw/zinc/41/96/22/343419622.db2.gz	NYGYXTUJFTXPPO-NEPJUHHUSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](C)C1	68987009	343419693	/nfs/dbraw/zinc/41/96/93/343419693.db2.gz	NYGYXTUJFTXPPO-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C1	68987009	343419696	/nfs/dbraw/zinc/41/96/96/343419696.db2.gz	NYGYXTUJFTXPPO-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)C1	68987018	343419718	/nfs/dbraw/zinc/41/97/18/343419718.db2.gz	NYGYXTUJFTXPPO-RYUDHWBXSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)C1	68987018	343419719	/nfs/dbraw/zinc/41/97/19/343419719.db2.gz	NYGYXTUJFTXPPO-RYUDHWBXSA-N	2	2	198.354	2.249	20	0		AEADLP
CC[C@@H]1CCC[C@H]([NH2+]CC[NH+](C)C)C1	70562077	343491223	/nfs/dbraw/zinc/49/12/23/343491223.db2.gz	ABVUQCTZCXNQNM-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H]1CCC[C@H]([NH2+]CC[NH+](C)C)C1	70562078	343491292	/nfs/dbraw/zinc/49/12/92/343491292.db2.gz	ABVUQCTZCXNQNM-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)C1	70562079	343491423	/nfs/dbraw/zinc/49/14/23/343491423.db2.gz	ABVUQCTZCXNQNM-VXGBXAGGSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)C1	70562080	343491545	/nfs/dbraw/zinc/49/15/45/343491545.db2.gz	ABVUQCTZCXNQNM-NWDGAFQWSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1	70642848	343514412	/nfs/dbraw/zinc/51/44/12/343514412.db2.gz	MFTLSCOILOWGST-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1	70642845	343514534	/nfs/dbraw/zinc/51/45/34/343514534.db2.gz	MFTLSCOILOWGST-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1	70642847	343514578	/nfs/dbraw/zinc/51/45/78/343514578.db2.gz	MFTLSCOILOWGST-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1	70642846	343514733	/nfs/dbraw/zinc/51/47/33/343514733.db2.gz	MFTLSCOILOWGST-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C1	70644007	343515106	/nfs/dbraw/zinc/51/51/06/343515106.db2.gz	RSHCJHAQJCCPEZ-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C1	70644007	343515108	/nfs/dbraw/zinc/51/51/08/343515108.db2.gz	RSHCJHAQJCCPEZ-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C)C1	70644003	343515115	/nfs/dbraw/zinc/51/51/15/343515115.db2.gz	RSHCJHAQJCCPEZ-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C)C1	70644003	343515117	/nfs/dbraw/zinc/51/51/17/343515117.db2.gz	RSHCJHAQJCCPEZ-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C1	70644008	343515162	/nfs/dbraw/zinc/51/51/62/343515162.db2.gz	RSHCJHAQJCCPEZ-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C1	70644008	343515164	/nfs/dbraw/zinc/51/51/64/343515164.db2.gz	RSHCJHAQJCCPEZ-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H](C)C1	70644005	343515241	/nfs/dbraw/zinc/51/52/41/343515241.db2.gz	RSHCJHAQJCCPEZ-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C)C1	70644005	343515243	/nfs/dbraw/zinc/51/52/43/343515243.db2.gz	RSHCJHAQJCCPEZ-RYUDHWBXSA-N	2	2	198.354	2.105	20	0		AEADLP
C[NH+](C)CC[NH2+]C1CCC(C)(C)CC1	70653792	343519850	/nfs/dbraw/zinc/51/98/50/343519850.db2.gz	VVHUTJUGLDHYCC-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
C[N@@H+]1CCC[C@H]1C[NH2+]C1CCCCC1	75599540	343578357	/nfs/dbraw/zinc/57/83/57/343578357.db2.gz	HULSUHDEOHXHFP-LBPRGKRZSA-N	2	2	196.338	2.003	20	0		AEADLP
C[N@H+]1CCC[C@H]1C[NH2+]C1CCCCC1	75599540	343578359	/nfs/dbraw/zinc/57/83/59/343578359.db2.gz	HULSUHDEOHXHFP-LBPRGKRZSA-N	2	2	196.338	2.003	20	0		AEADLP
C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCCCC1	75599538	343578489	/nfs/dbraw/zinc/57/84/89/343578489.db2.gz	HULSUHDEOHXHFP-GFCCVEGCSA-N	2	2	196.338	2.003	20	0		AEADLP
C[N@H+]1CCC[C@@H]1C[NH2+]C1CCCCC1	75599538	343578491	/nfs/dbraw/zinc/57/84/91/343578491.db2.gz	HULSUHDEOHXHFP-GFCCVEGCSA-N	2	2	196.338	2.003	20	0		AEADLP
CC1(C)CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1	86831092	343655117	/nfs/dbraw/zinc/65/51/17/343655117.db2.gz	HKLZMCJBTVQHMM-JTQLQIEISA-N	2	2	193.294	2.078	20	0		AEADLP
CC1(C)CCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1	86831093	343655264	/nfs/dbraw/zinc/65/52/64/343655264.db2.gz	HKLZMCJBTVQHMM-SNVBAGLBSA-N	2	2	193.294	2.078	20	0		AEADLP
CCC(CC)C[NH2+]C[C@H]1CCC[N@@H+]1C	163685432	344226698	/nfs/dbraw/zinc/22/66/98/344226698.db2.gz	ZMINKYJSQVGTNP-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)C[NH2+]C[C@H]1CCC[N@H+]1C	163685432	344226699	/nfs/dbraw/zinc/22/66/99/344226699.db2.gz	ZMINKYJSQVGTNP-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@H+](CC[NH2+]CC(C)(C)C)C1CC1	163825225	344230652	/nfs/dbraw/zinc/23/06/52/344230652.db2.gz	HWHPIOLCOOUXBB-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@@H+](CC[NH2+]CC(C)(C)C)C1CC1	163825225	344230655	/nfs/dbraw/zinc/23/06/55/344230655.db2.gz	HWHPIOLCOOUXBB-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H](C[NH2+]CC(C)(C)C)[N@H+](C)C1CC1	163903815	344232644	/nfs/dbraw/zinc/23/26/44/344232644.db2.gz	BDOGYIHSUOKQFZ-JTQLQIEISA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+]CC(C)(C)C)[N@@H+](C)C1CC1	163903815	344232646	/nfs/dbraw/zinc/23/26/46/344232646.db2.gz	BDOGYIHSUOKQFZ-JTQLQIEISA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H](C[NH2+]CC(C)(C)C)[N@H+](C)C1CC1	163903935	344232713	/nfs/dbraw/zinc/23/27/13/344232713.db2.gz	BDOGYIHSUOKQFZ-SNVBAGLBSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H](C[NH2+]CC(C)(C)C)[N@@H+](C)C1CC1	163903935	344232716	/nfs/dbraw/zinc/23/27/16/344232716.db2.gz	BDOGYIHSUOKQFZ-SNVBAGLBSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C	166879022	344291505	/nfs/dbraw/zinc/29/15/05/344291505.db2.gz	OVKCKPBINBICDN-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C	166881415	344291495	/nfs/dbraw/zinc/29/14/95/344291495.db2.gz	ZBJFGXARNVTVFM-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C	166881415	344291496	/nfs/dbraw/zinc/29/14/96/344291496.db2.gz	ZBJFGXARNVTVFM-VXGBXAGGSA-N	2	2	198.354	2.249	20	0		AEADLP
CC(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C	166879022	344291503	/nfs/dbraw/zinc/29/15/03/344291503.db2.gz	OVKCKPBINBICDN-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C	166881463	344291529	/nfs/dbraw/zinc/29/15/29/344291529.db2.gz	ZBJFGXARNVTVFM-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C	166881463	344291531	/nfs/dbraw/zinc/29/15/31/344291531.db2.gz	ZBJFGXARNVTVFM-NWDGAFQWSA-N	2	2	198.354	2.249	20	0		AEADLP
CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)C	166882565	344291647	/nfs/dbraw/zinc/29/16/47/344291647.db2.gz	SXZWGKVUXZKRRO-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)C	166882565	344291648	/nfs/dbraw/zinc/29/16/48/344291648.db2.gz	SXZWGKVUXZKRRO-NEPJUHHUSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C	166884022	344291778	/nfs/dbraw/zinc/29/17/78/344291778.db2.gz	HVSDXRZYPCOKNL-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C	166884022	344291780	/nfs/dbraw/zinc/29/17/80/344291780.db2.gz	HVSDXRZYPCOKNL-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C	166884129	344291789	/nfs/dbraw/zinc/29/17/89/344291789.db2.gz	HVSDXRZYPCOKNL-GHMZBOCLSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C	166878958	344291828	/nfs/dbraw/zinc/29/18/28/344291828.db2.gz	OVKCKPBINBICDN-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C	166878958	344291831	/nfs/dbraw/zinc/29/18/31/344291831.db2.gz	OVKCKPBINBICDN-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)C	166882675	344291888	/nfs/dbraw/zinc/29/18/88/344291888.db2.gz	SXZWGKVUXZKRRO-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)C	166882675	344291890	/nfs/dbraw/zinc/29/18/90/344291890.db2.gz	SXZWGKVUXZKRRO-VXGBXAGGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)CCC[NH2+]C[C@H]1CCC[N@@H+]1C	220636235	344433825	/nfs/dbraw/zinc/43/38/25/344433825.db2.gz	GMWSRDHYULTARB-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)CCC[NH2+]C[C@H]1CCC[N@H+]1C	220636235	344433828	/nfs/dbraw/zinc/43/38/28/344433828.db2.gz	GMWSRDHYULTARB-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[N@@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1	221917993	344447389	/nfs/dbraw/zinc/44/73/89/344447389.db2.gz	QMMURUGFDKJJGC-GFCCVEGCSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[N@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1	221917993	344447391	/nfs/dbraw/zinc/44/73/91/344447391.db2.gz	QMMURUGFDKJJGC-GFCCVEGCSA-N	2	2	196.338	2.003	20	0		AEADLP
CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C	252708632	344909577	/nfs/dbraw/zinc/90/95/77/344909577.db2.gz	AQMODTVOVMSBGV-QJPTWQEYSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C	252708632	344909579	/nfs/dbraw/zinc/90/95/79/344909579.db2.gz	AQMODTVOVMSBGV-QJPTWQEYSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C	252708633	344909619	/nfs/dbraw/zinc/90/96/19/344909619.db2.gz	AQMODTVOVMSBGV-SDDRHHMPSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C	252708633	344909621	/nfs/dbraw/zinc/90/96/21/344909621.db2.gz	AQMODTVOVMSBGV-SDDRHHMPSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)CC1	252953520	344921968	/nfs/dbraw/zinc/92/19/68/344921968.db2.gz	GSLZNRNRULFTJR-MGCOHNPYSA-N	2	2	193.294	2.078	20	0		AEADLP
CC(C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C	306247578	345139112	/nfs/dbraw/zinc/13/91/12/345139112.db2.gz	PLQJOJQJYARYEC-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C	306247578	345139116	/nfs/dbraw/zinc/13/91/16/345139116.db2.gz	PLQJOJQJYARYEC-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C	306247579	345139492	/nfs/dbraw/zinc/13/94/92/345139492.db2.gz	PLQJOJQJYARYEC-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C	306247579	345139494	/nfs/dbraw/zinc/13/94/94/345139494.db2.gz	PLQJOJQJYARYEC-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1	306346265	345220303	/nfs/dbraw/zinc/22/03/03/345220303.db2.gz	QVSXZZLBIINHOA-NSHDSACASA-N	2	2	198.354	2.092	20	0		AEADLP
CC(C)[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1	306346265	345220306	/nfs/dbraw/zinc/22/03/06/345220306.db2.gz	QVSXZZLBIINHOA-NSHDSACASA-N	2	2	198.354	2.092	20	0		AEADLP
CC(C)[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1	306346263	345220342	/nfs/dbraw/zinc/22/03/42/345220342.db2.gz	QVSXZZLBIINHOA-LLVKDONJSA-N	2	2	198.354	2.092	20	0		AEADLP
CC(C)[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1	306346263	345220344	/nfs/dbraw/zinc/22/03/44/345220344.db2.gz	QVSXZZLBIINHOA-LLVKDONJSA-N	2	2	198.354	2.092	20	0		AEADLP
C[N@H+](CC(C)(C)[NH3+])[C@@H]1CCC(C)(C)C1	307484706	346068217	/nfs/dbraw/zinc/06/82/17/346068217.db2.gz	IHMUUEDJBFPGQE-SNVBAGLBSA-N	2	2	198.354	2.234	20	0		AEADLP
C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CCC(C)(C)C1	307484706	346068219	/nfs/dbraw/zinc/06/82/19/346068219.db2.gz	IHMUUEDJBFPGQE-SNVBAGLBSA-N	2	2	198.354	2.234	20	0		AEADLP
C[N@H+](CC(C)(C)[NH3+])[C@H]1CCC(C)(C)C1	307484705	346068527	/nfs/dbraw/zinc/06/85/27/346068527.db2.gz	IHMUUEDJBFPGQE-JTQLQIEISA-N	2	2	198.354	2.234	20	0		AEADLP
C[N@@H+](CC(C)(C)[NH3+])[C@H]1CCC(C)(C)C1	307484705	346068528	/nfs/dbraw/zinc/06/85/28/346068528.db2.gz	IHMUUEDJBFPGQE-JTQLQIEISA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C	624100738	347269961	/nfs/dbraw/zinc/26/99/61/347269961.db2.gz	AQMODTVOVMSBGV-IJLUTSLNSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C	624100738	347269962	/nfs/dbraw/zinc/26/99/62/347269962.db2.gz	AQMODTVOVMSBGV-IJLUTSLNSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C	624100737	347270068	/nfs/dbraw/zinc/27/00/68/347270068.db2.gz	AQMODTVOVMSBGV-GRYCIOLGSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C	624100737	347270071	/nfs/dbraw/zinc/27/00/71/347270071.db2.gz	AQMODTVOVMSBGV-GRYCIOLGSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]([NH3+])C[N@@H+]1CC(C)(C)CCC1(C)C	629548426	347347716	/nfs/dbraw/zinc/34/77/16/347347716.db2.gz	ZQXYHWJMYDDJEB-JTQLQIEISA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]([NH3+])C[N@H+]1CC(C)(C)CCC1(C)C	629548426	347347720	/nfs/dbraw/zinc/34/77/20/347347720.db2.gz	ZQXYHWJMYDDJEB-JTQLQIEISA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H]([NH3+])C[N@@H+]1CC(C)(C)CCC1(C)C	629548427	347347895	/nfs/dbraw/zinc/34/78/95/347347895.db2.gz	ZQXYHWJMYDDJEB-SNVBAGLBSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H]([NH3+])C[N@H+]1CC(C)(C)CCC1(C)C	629548427	347347897	/nfs/dbraw/zinc/34/78/97/347347897.db2.gz	ZQXYHWJMYDDJEB-SNVBAGLBSA-N	2	2	198.354	2.234	20	0		AEADLP
C[N@@H+](CC1CC(C)(C)C1)CC(C)(C)[NH3+]	629548830	347348121	/nfs/dbraw/zinc/34/81/21/347348121.db2.gz	ZKIHGZFYDWJQBZ-UHFFFAOYSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@@H]1CCC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1	42495780	351522524	/nfs/dbraw/zinc/52/25/24/351522524.db2.gz	SSUWYTOQYWVCJU-GHMZBOCLSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H]1CCC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1	42495780	351522530	/nfs/dbraw/zinc/52/25/30/351522530.db2.gz	SSUWYTOQYWVCJU-GHMZBOCLSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H]1CCC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1	42495777	351522720	/nfs/dbraw/zinc/52/27/20/351522720.db2.gz	SSUWYTOQYWVCJU-MNOVXSKESA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H]1CCC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1	42495777	351522723	/nfs/dbraw/zinc/52/27/23/351522723.db2.gz	SSUWYTOQYWVCJU-MNOVXSKESA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1	54764022	351574848	/nfs/dbraw/zinc/57/48/48/351574848.db2.gz	SDDSREHYQFMNAY-NXEZZACHSA-N	2	2	193.294	2.078	20	0		AEADLP
C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1	54763289	351575157	/nfs/dbraw/zinc/57/51/57/351575157.db2.gz	WEQUWPGMDFVYJA-KOLCDFICSA-N	2	2	193.294	2.078	20	0		AEADLP
c1[nH]c(C[NH2+]C2CCCCCC2)c[nH+]1	54763494	351575379	/nfs/dbraw/zinc/57/53/79/351575379.db2.gz	OPMKZFNENQPLDN-UHFFFAOYSA-N	2	2	193.294	2.222	20	0		AEADLP
C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1	54764016	351575507	/nfs/dbraw/zinc/57/55/07/351575507.db2.gz	SDDSREHYQFMNAY-ZJUUUORDSA-N	2	2	193.294	2.078	20	0		AEADLP
C[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1	54763294	351575658	/nfs/dbraw/zinc/57/56/58/351575658.db2.gz	WEQUWPGMDFVYJA-MWLCHTKSSA-N	2	2	193.294	2.078	20	0		AEADLP
CC(C)([NH3+])C[N@@H+]1CCC[C@H]1C(C)(C)C	108310303	351721069	/nfs/dbraw/zinc/72/10/69/351721069.db2.gz	OJZIHTXTPQWCGU-JTQLQIEISA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)([NH3+])C[N@H+]1CCC[C@H]1C(C)(C)C	108310303	351721070	/nfs/dbraw/zinc/72/10/70/351721070.db2.gz	OJZIHTXTPQWCGU-JTQLQIEISA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1C(C)(C)C	108310307	351721272	/nfs/dbraw/zinc/72/12/72/351721272.db2.gz	OJZIHTXTPQWCGU-SNVBAGLBSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)([NH3+])C[N@H+]1CCC[C@@H]1C(C)(C)C	108310307	351721275	/nfs/dbraw/zinc/72/12/75/351721275.db2.gz	OJZIHTXTPQWCGU-SNVBAGLBSA-N	2	2	198.354	2.234	20	0		AEADLP
CC/C=C/C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1	643492407	352966040	/nfs/dbraw/zinc/96/60/40/352966040.db2.gz	NKOSZLBULOWWIO-JZYUNNQISA-N	2	2	196.338	2.073	20	0		AEADLP
CC/C=C\C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1	643492410	352966363	/nfs/dbraw/zinc/96/63/63/352966363.db2.gz	NKOSZLBULOWWIO-XSCYXQHBSA-N	2	2	196.338	2.073	20	0		AEADLP
CC/C=C/C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1	643492408	352966403	/nfs/dbraw/zinc/96/64/03/352966403.db2.gz	NKOSZLBULOWWIO-SJCWFQRBSA-N	2	2	196.338	2.073	20	0		AEADLP
CC/C=C\C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1	643492409	352966507	/nfs/dbraw/zinc/96/65/07/352966507.db2.gz	NKOSZLBULOWWIO-XEGQIGPUSA-N	2	2	196.338	2.073	20	0		AEADLP
CCC[C@H]([NH2+]CC[NH3+])c1ccsc1	643495869	352969221	/nfs/dbraw/zinc/96/92/21/352969221.db2.gz	XSZCRLBCWYTFHN-JTQLQIEISA-N	2	2	198.335	2.138	20	0		AEADLP
CCC[C@@H]([NH2+]CC[NH3+])c1ccsc1	643495870	352969612	/nfs/dbraw/zinc/96/96/12/352969612.db2.gz	XSZCRLBCWYTFHN-SNVBAGLBSA-N	2	2	198.335	2.138	20	0		AEADLP
CC[C@H]([NH2+]CC[NH2+]C)c1ccsc1	643504529	352975979	/nfs/dbraw/zinc/97/59/79/352975979.db2.gz	CEKGHENWCOJLBM-JTQLQIEISA-N	2	2	198.335	2.008	20	0		AEADLP
CC[C@@H]([NH2+]CC[NH2+]C)c1cccs1	643504503	352976008	/nfs/dbraw/zinc/97/60/08/352976008.db2.gz	ZVWFLDGEJHOZGN-SECBINFHSA-N	2	2	198.335	2.008	20	0		AEADLP
CC[C@@H]([NH2+]CC[NH2+]C)c1ccsc1	643504530	352976036	/nfs/dbraw/zinc/97/60/36/352976036.db2.gz	CEKGHENWCOJLBM-SNVBAGLBSA-N	2	2	198.335	2.008	20	0		AEADLP
CC[C@H]([NH2+]CC[NH2+]C)c1cccs1	643504504	352976101	/nfs/dbraw/zinc/97/61/01/352976101.db2.gz	ZVWFLDGEJHOZGN-VIFPVBQESA-N	2	2	198.335	2.008	20	0		AEADLP
CC[NH2+]CC[NH2+][C@H](C)c1ccsc1	643505290	352977684	/nfs/dbraw/zinc/97/76/84/352977684.db2.gz	CIYOWBNHSDBUGH-SECBINFHSA-N	2	2	198.335	2.008	20	0		AEADLP
CC[NH2+]CC[NH2+][C@@H](C)c1ccsc1	643505291	352977861	/nfs/dbraw/zinc/97/78/61/352977861.db2.gz	CIYOWBNHSDBUGH-VIFPVBQESA-N	2	2	198.335	2.008	20	0		AEADLP
CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccsc1	643519747	352990726	/nfs/dbraw/zinc/99/07/26/352990726.db2.gz	XSNQVJCDCFQNTO-PSASIEDQSA-N	2	2	198.335	2.136	20	0		AEADLP
Cc1cc([C@@H](C)[NH2+][C@H](C)C[NH3+])cs1	643519675	352990958	/nfs/dbraw/zinc/99/09/58/352990958.db2.gz	JRDMSBNGEIQTIU-VXNVDRBHSA-N	2	2	198.335	2.054	20	0		AEADLP
CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccsc1	643519748	352991141	/nfs/dbraw/zinc/99/11/41/352991141.db2.gz	XSNQVJCDCFQNTO-SCZZXKLOSA-N	2	2	198.335	2.136	20	0		AEADLP
Cc1cc([C@H](C)[NH2+][C@H](C)C[NH3+])cs1	643519674	352991195	/nfs/dbraw/zinc/99/11/95/352991195.db2.gz	JRDMSBNGEIQTIU-APPZFPTMSA-N	2	2	198.335	2.054	20	0		AEADLP
C[NH+](C)CC(C)(C)[NH2+]CC1=CCCC1	401081759	375512329	/nfs/dbraw/zinc/51/23/29/375512329.db2.gz	OVOFHJIHECQKDQ-UHFFFAOYSA-N	2	2	196.338	2.027	20	0		AEADLP
C[N@H+](CCCn1cc[nH+]c1)C(C)(C)C	646088470	375575758	/nfs/dbraw/zinc/57/57/58/375575758.db2.gz	RTKQRTNTJRDUPA-UHFFFAOYSA-N	2	2	195.310	2.004	20	0		AEADLP
C[N@@H+](CCCn1cc[nH+]c1)C(C)(C)C	646088470	375575761	/nfs/dbraw/zinc/57/57/61/375575761.db2.gz	RTKQRTNTJRDUPA-UHFFFAOYSA-N	2	2	195.310	2.004	20	0		AEADLP
CC1=CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)CC1	646196175	375582599	/nfs/dbraw/zinc/58/25/99/375582599.db2.gz	DRAKIFRFMWKRDU-RYUDHWBXSA-N	2	2	196.338	2.025	20	0		AEADLP
CC1=CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CC1	646196174	375582838	/nfs/dbraw/zinc/58/28/38/375582838.db2.gz	DRAKIFRFMWKRDU-NWDGAFQWSA-N	2	2	196.338	2.025	20	0		AEADLP
CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+]	647886748	375672833	/nfs/dbraw/zinc/67/28/33/375672833.db2.gz	QANDPLUGVQAOJC-QJPTWQEYSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](C)[NH3+]	647886748	375672837	/nfs/dbraw/zinc/67/28/37/375672837.db2.gz	QANDPLUGVQAOJC-QJPTWQEYSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H](C)[NH3+]	647889975	375672862	/nfs/dbraw/zinc/67/28/62/375672862.db2.gz	CEBUVWRITNLGOI-QJPTWQEYSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](C)[NH3+]	647889975	375672865	/nfs/dbraw/zinc/67/28/65/375672865.db2.gz	CEBUVWRITNLGOI-QJPTWQEYSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](C)[NH3+]	647888096	375672925	/nfs/dbraw/zinc/67/29/25/375672925.db2.gz	MFFOGQSRUDHJOY-NWDGAFQWSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@H]1CCCC[N@H+]1C[C@H](C)[NH3+]	647888096	375672928	/nfs/dbraw/zinc/67/29/28/375672928.db2.gz	MFFOGQSRUDHJOY-NWDGAFQWSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](C)[NH3+]	647888097	375672983	/nfs/dbraw/zinc/67/29/83/375672983.db2.gz	MFFOGQSRUDHJOY-RYUDHWBXSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](C)[NH3+]	647888097	375672989	/nfs/dbraw/zinc/67/29/89/375672989.db2.gz	MFFOGQSRUDHJOY-RYUDHWBXSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H](C)[NH3+]	647889974	375673089	/nfs/dbraw/zinc/67/30/89/375673089.db2.gz	CEBUVWRITNLGOI-IJLUTSLNSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](C)[NH3+]	647889974	375673092	/nfs/dbraw/zinc/67/30/92/375673092.db2.gz	CEBUVWRITNLGOI-IJLUTSLNSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+]	647888098	375673116	/nfs/dbraw/zinc/67/31/16/375673116.db2.gz	MFFOGQSRUDHJOY-VXGBXAGGSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@H]1CCCC[N@H+]1C[C@@H](C)[NH3+]	647888098	375673120	/nfs/dbraw/zinc/67/31/20/375673120.db2.gz	MFFOGQSRUDHJOY-VXGBXAGGSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](C)[NH3+]	647886749	375673166	/nfs/dbraw/zinc/67/31/66/375673166.db2.gz	QANDPLUGVQAOJC-SDDRHHMPSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](C)[NH3+]	647886749	375673169	/nfs/dbraw/zinc/67/31/69/375673169.db2.gz	QANDPLUGVQAOJC-SDDRHHMPSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+]	647886751	375673241	/nfs/dbraw/zinc/67/32/41/375673241.db2.gz	QANDPLUGVQAOJC-TUAOUCFPSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](C)[NH3+]	647886751	375673246	/nfs/dbraw/zinc/67/32/46/375673246.db2.gz	QANDPLUGVQAOJC-TUAOUCFPSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](C)[NH3+]	647889976	375673343	/nfs/dbraw/zinc/67/33/43/375673343.db2.gz	CEBUVWRITNLGOI-SDDRHHMPSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](C)[NH3+]	647889976	375673347	/nfs/dbraw/zinc/67/33/47/375673347.db2.gz	CEBUVWRITNLGOI-SDDRHHMPSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](C)[NH3+]	647886750	375673380	/nfs/dbraw/zinc/67/33/80/375673380.db2.gz	QANDPLUGVQAOJC-SRVKXCTJSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](C)[NH3+]	647886750	375673382	/nfs/dbraw/zinc/67/33/82/375673382.db2.gz	QANDPLUGVQAOJC-SRVKXCTJSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+]	647888095	375673402	/nfs/dbraw/zinc/67/34/02/375673402.db2.gz	MFFOGQSRUDHJOY-NEPJUHHUSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H](C)[NH3+]	647888095	375673408	/nfs/dbraw/zinc/67/34/08/375673408.db2.gz	MFFOGQSRUDHJOY-NEPJUHHUSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](C)[NH3+]	647889973	375673503	/nfs/dbraw/zinc/67/35/03/375673503.db2.gz	CEBUVWRITNLGOI-GRYCIOLGSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](C)[NH3+]	647889973	375673508	/nfs/dbraw/zinc/67/35/08/375673508.db2.gz	CEBUVWRITNLGOI-GRYCIOLGSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1	648770801	375746348	/nfs/dbraw/zinc/74/63/48/375746348.db2.gz	UVAWYUMOITVXMT-SDDRHHMPSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1	648770802	375746770	/nfs/dbraw/zinc/74/67/70/375746770.db2.gz	UVAWYUMOITVXMT-SRVKXCTJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[NH2+][C@@H](C)C[NH+]1CCCCC1	35258917	409316058	/nfs/dbraw/zinc/31/60/58/409316058.db2.gz	AHQLJNGSUIFITP-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)C[NH2+][C@H](C)C[NH+]1CCCCC1	35258918	409316435	/nfs/dbraw/zinc/31/64/35/409316435.db2.gz	AHQLJNGSUIFITP-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C	38087645	409339053	/nfs/dbraw/zinc/33/90/53/409339053.db2.gz	KRZQDKMYOONZBZ-MNOVXSKESA-N	2	2	186.343	2.105	20	0		AEADLP
C[C@@H](C[NH2+]CC1CCCCC1)[NH+](C)C	38088722	409339519	/nfs/dbraw/zinc/33/95/19/409339519.db2.gz	HBZHGNHIZGQDMH-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
CC1CCC([NH2+]C[C@H](C)[NH+](C)C)CC1	38088977	409339564	/nfs/dbraw/zinc/33/95/64/409339564.db2.gz	KKZARUSHDFQBSN-CXQJBGSLSA-N	2	2	198.354	2.105	20	0		AEADLP
CCCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C	38087646	409340056	/nfs/dbraw/zinc/34/00/56/409340056.db2.gz	KRZQDKMYOONZBZ-QWRGUYRKSA-N	2	2	186.343	2.105	20	0		AEADLP
CC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1	40407954	409342932	/nfs/dbraw/zinc/34/29/32/409342932.db2.gz	OVPVWORHACJRDT-JQWIXIFHSA-N	2	2	192.306	2.075	20	0		AEADLP
CC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1	40407951	409342926	/nfs/dbraw/zinc/34/29/26/409342926.db2.gz	OVPVWORHACJRDT-PWSUYJOCSA-N	2	2	192.306	2.075	20	0		AEADLP
CC(C)C[NH2+]CC[NH+]1CCCCCC1	40433273	409343201	/nfs/dbraw/zinc/34/32/01/409343201.db2.gz	XFZMWLIFTZLBFH-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1	40407958	409344225	/nfs/dbraw/zinc/34/42/25/409344225.db2.gz	OVPVWORHACJRDT-ZYHUDNBSSA-N	2	2	192.306	2.075	20	0		AEADLP
CC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1	40407961	409344553	/nfs/dbraw/zinc/34/45/53/409344553.db2.gz	OVPVWORHACJRDT-CMPLNLGQSA-N	2	2	192.306	2.075	20	0		AEADLP
CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+]	652343488	409352270	/nfs/dbraw/zinc/35/22/70/409352270.db2.gz	LHRGQAOHFXUIEY-QJPTWQEYSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+]	652343488	409352275	/nfs/dbraw/zinc/35/22/75/409352275.db2.gz	LHRGQAOHFXUIEY-QJPTWQEYSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+]	652343491	409352802	/nfs/dbraw/zinc/35/28/02/409352802.db2.gz	LHRGQAOHFXUIEY-TUAOUCFPSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+]	652343489	409352766	/nfs/dbraw/zinc/35/27/66/409352766.db2.gz	LHRGQAOHFXUIEY-SDDRHHMPSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](C)[NH3+]	652343489	409352769	/nfs/dbraw/zinc/35/27/69/409352769.db2.gz	LHRGQAOHFXUIEY-SDDRHHMPSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+]	652343491	409352807	/nfs/dbraw/zinc/35/28/07/409352807.db2.gz	LHRGQAOHFXUIEY-TUAOUCFPSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+]	652343490	409353752	/nfs/dbraw/zinc/35/37/52/409353752.db2.gz	LHRGQAOHFXUIEY-SRVKXCTJSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+]	652343490	409353756	/nfs/dbraw/zinc/35/37/56/409353756.db2.gz	LHRGQAOHFXUIEY-SRVKXCTJSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]([N@H+](C)CC(C)(C)[NH3+])C(C)(C)C	42781597	409353968	/nfs/dbraw/zinc/35/39/68/409353968.db2.gz	BLKWHQYSCLSNKF-VIFPVBQESA-N	2	2	186.343	2.090	20	0		AEADLP
C[C@H]([N@@H+](C)CC(C)(C)[NH3+])C(C)(C)C	42781597	409353970	/nfs/dbraw/zinc/35/39/70/409353970.db2.gz	BLKWHQYSCLSNKF-VIFPVBQESA-N	2	2	186.343	2.090	20	0		AEADLP
CC(C)C[N@H+](CC(C)(C)[NH3+])C(C)C	42593416	409354210	/nfs/dbraw/zinc/35/42/10/409354210.db2.gz	XAJOJPKZKIJROF-UHFFFAOYSA-N	2	2	186.343	2.090	20	0		AEADLP
CC(C)C[N@@H+](CC(C)(C)[NH3+])C(C)C	42593416	409354214	/nfs/dbraw/zinc/35/42/14/409354214.db2.gz	XAJOJPKZKIJROF-UHFFFAOYSA-N	2	2	186.343	2.090	20	0		AEADLP
CCCCC[N@H+](C[C@H](C)[NH3+])C(C)C	44415068	409356177	/nfs/dbraw/zinc/35/61/77/409356177.db2.gz	HZLMZTSNNWLLCK-NSHDSACASA-N	2	2	186.343	2.234	20	0		AEADLP
CCCCC[N@@H+](C[C@H](C)[NH3+])C(C)C	44415068	409356183	/nfs/dbraw/zinc/35/61/83/409356183.db2.gz	HZLMZTSNNWLLCK-NSHDSACASA-N	2	2	186.343	2.234	20	0		AEADLP
CCCCC[N@H+](C[C@@H](C)[NH3+])C(C)C	44415067	409356995	/nfs/dbraw/zinc/35/69/95/409356995.db2.gz	HZLMZTSNNWLLCK-LLVKDONJSA-N	2	2	186.343	2.234	20	0		AEADLP
CCCCC[N@@H+](C[C@@H](C)[NH3+])C(C)C	44415067	409356998	/nfs/dbraw/zinc/35/69/98/409356998.db2.gz	HZLMZTSNNWLLCK-LLVKDONJSA-N	2	2	186.343	2.234	20	0		AEADLP
C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccs1	49717104	409371852	/nfs/dbraw/zinc/37/18/52/409371852.db2.gz	XGDVJTFHWHACGR-IUCAKERBSA-N	2	2	198.335	2.088	20	0		AEADLP
C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccs1	49717104	409371856	/nfs/dbraw/zinc/37/18/56/409371856.db2.gz	XGDVJTFHWHACGR-IUCAKERBSA-N	2	2	198.335	2.088	20	0		AEADLP
C[C@@H](c1cccs1)[N@@H+](C)C[C@@H](C)[NH3+]	49717105	409372205	/nfs/dbraw/zinc/37/22/05/409372205.db2.gz	XGDVJTFHWHACGR-BDAKNGLRSA-N	2	2	198.335	2.088	20	0		AEADLP
C[C@@H](c1cccs1)[N@H+](C)C[C@@H](C)[NH3+]	49717105	409372211	/nfs/dbraw/zinc/37/22/11/409372211.db2.gz	XGDVJTFHWHACGR-BDAKNGLRSA-N	2	2	198.335	2.088	20	0		AEADLP
CCC[N@@H+](CCn1cc[nH+]c1)C(C)C	653798722	409379793	/nfs/dbraw/zinc/37/97/93/409379793.db2.gz	OCLOPBHWXYTJRZ-UHFFFAOYSA-N	2	2	195.310	2.004	20	0		AEADLP
CCC[N@H+](CCn1cc[nH+]c1)C(C)C	653798722	409379788	/nfs/dbraw/zinc/37/97/88/409379788.db2.gz	OCLOPBHWXYTJRZ-UHFFFAOYSA-N	2	2	195.310	2.004	20	0		AEADLP
CCC(CC)C[N@@H+]1CCC[C@@H]([NH2+]C)C1	53201550	409387366	/nfs/dbraw/zinc/38/73/66/409387366.db2.gz	KGTAUHRSQZHVOH-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)C[N@H+]1CCC[C@@H]([NH2+]C)C1	53201550	409387372	/nfs/dbraw/zinc/38/73/72/409387372.db2.gz	KGTAUHRSQZHVOH-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)C[N@@H+]1CCC[C@H]([NH2+]C)C1	53201549	409387504	/nfs/dbraw/zinc/38/75/04/409387504.db2.gz	KGTAUHRSQZHVOH-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CCC(CC)C[N@H+]1CCC[C@H]([NH2+]C)C1	53201549	409387510	/nfs/dbraw/zinc/38/75/10/409387510.db2.gz	KGTAUHRSQZHVOH-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[NH2+]CC[NH2+][C@H](C)c1cccs1	53387963	409387775	/nfs/dbraw/zinc/38/77/75/409387775.db2.gz	MNLMWALKVGPRHK-SECBINFHSA-N	2	2	198.335	2.008	20	0		AEADLP
CC[NH2+]CC[NH2+][C@@H](C)c1cccs1	53387961	409388566	/nfs/dbraw/zinc/38/85/66/409388566.db2.gz	MNLMWALKVGPRHK-VIFPVBQESA-N	2	2	198.335	2.008	20	0		AEADLP
C[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCCC1	54080924	409389751	/nfs/dbraw/zinc/38/97/51/409389751.db2.gz	DCOIKVIERJIOGF-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+][C@H](C)C1CCCC1)[NH+](C)C	54080928	409389800	/nfs/dbraw/zinc/38/98/00/409389800.db2.gz	DCOIKVIERJIOGF-WDEREUQCSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+]	63191914	409406030	/nfs/dbraw/zinc/40/60/30/409406030.db2.gz	OQQKHYYOOWDAII-QJPTWQEYSA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+]	63191914	409406036	/nfs/dbraw/zinc/40/60/36/409406036.db2.gz	OQQKHYYOOWDAII-QJPTWQEYSA-N	2	2	198.354	2.234	20	0		AEADLP
CCCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+]	63192075	409406740	/nfs/dbraw/zinc/40/67/40/409406740.db2.gz	BEGITXMVCZJJLG-VXGBXAGGSA-N	2	2	198.354	2.378	20	0		AEADLP
CCCCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+]	63192075	409406742	/nfs/dbraw/zinc/40/67/42/409406742.db2.gz	BEGITXMVCZJJLG-VXGBXAGGSA-N	2	2	198.354	2.378	20	0		AEADLP
CC(C)CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+]	63191675	409406804	/nfs/dbraw/zinc/40/68/04/409406804.db2.gz	HMCSHXQCHKGSKK-NEPJUHHUSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+]	63191675	409406807	/nfs/dbraw/zinc/40/68/07/409406807.db2.gz	HMCSHXQCHKGSKK-NEPJUHHUSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1	63188285	409406933	/nfs/dbraw/zinc/40/69/33/409406933.db2.gz	JQZSEGSOXYIEFR-NWDGAFQWSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1	63188285	409406940	/nfs/dbraw/zinc/40/69/40/409406940.db2.gz	JQZSEGSOXYIEFR-NWDGAFQWSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1	63188286	409407342	/nfs/dbraw/zinc/40/73/42/409407342.db2.gz	JQZSEGSOXYIEFR-RYUDHWBXSA-N	2	2	196.338	2.003	20	0		AEADLP
CCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1	63188286	409407346	/nfs/dbraw/zinc/40/73/46/409407346.db2.gz	JQZSEGSOXYIEFR-RYUDHWBXSA-N	2	2	196.338	2.003	20	0		AEADLP
CC(C)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+]	63191674	409407366	/nfs/dbraw/zinc/40/73/66/409407366.db2.gz	HMCSHXQCHKGSKK-VXGBXAGGSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+]	63191674	409407369	/nfs/dbraw/zinc/40/73/69/409407369.db2.gz	HMCSHXQCHKGSKK-VXGBXAGGSA-N	2	2	198.354	2.234	20	0		AEADLP
CCCCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+]	63192076	409407560	/nfs/dbraw/zinc/40/75/60/409407560.db2.gz	BEGITXMVCZJJLG-NEPJUHHUSA-N	2	2	198.354	2.378	20	0		AEADLP
CC(C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12	655849288	409417430	/nfs/dbraw/zinc/41/74/30/409417430.db2.gz	SQGFHLSJTBNTBT-VXGBXAGGSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12	655849288	409417435	/nfs/dbraw/zinc/41/74/35/409417435.db2.gz	SQGFHLSJTBNTBT-VXGBXAGGSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12	655849286	409417636	/nfs/dbraw/zinc/41/76/36/409417636.db2.gz	SQGFHLSJTBNTBT-NWDGAFQWSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12	655849286	409417639	/nfs/dbraw/zinc/41/76/39/409417639.db2.gz	SQGFHLSJTBNTBT-NWDGAFQWSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12	655849287	409417740	/nfs/dbraw/zinc/41/77/40/409417740.db2.gz	SQGFHLSJTBNTBT-RYUDHWBXSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12	655849287	409417743	/nfs/dbraw/zinc/41/77/43/409417743.db2.gz	SQGFHLSJTBNTBT-RYUDHWBXSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12	655849285	409418396	/nfs/dbraw/zinc/41/83/96/409418396.db2.gz	SQGFHLSJTBNTBT-NEPJUHHUSA-N	2	2	196.338	2.001	20	0		AEADLP
CC(C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12	655849285	409418400	/nfs/dbraw/zinc/41/84/00/409418400.db2.gz	SQGFHLSJTBNTBT-NEPJUHHUSA-N	2	2	196.338	2.001	20	0		AEADLP
C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccccc1	70378499	409428500	/nfs/dbraw/zinc/42/85/00/409428500.db2.gz	UPTLDJJMVSIXMP-QWRGUYRKSA-N	2	2	192.306	2.027	20	0		AEADLP
C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccccc1	70378499	409428506	/nfs/dbraw/zinc/42/85/06/409428506.db2.gz	UPTLDJJMVSIXMP-QWRGUYRKSA-N	2	2	192.306	2.027	20	0		AEADLP
C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)[NH3+]	70378500	409428531	/nfs/dbraw/zinc/42/85/31/409428531.db2.gz	UPTLDJJMVSIXMP-MNOVXSKESA-N	2	2	192.306	2.027	20	0		AEADLP
C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)[NH3+]	70378500	409428535	/nfs/dbraw/zinc/42/85/35/409428535.db2.gz	UPTLDJJMVSIXMP-MNOVXSKESA-N	2	2	192.306	2.027	20	0		AEADLP
CC[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1	70613866	409430637	/nfs/dbraw/zinc/43/06/37/409430637.db2.gz	DCVXVBLVCRIBJC-LLVKDONJSA-N	2	2	198.354	2.236	20	0		AEADLP
CC[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1	70613866	409430640	/nfs/dbraw/zinc/43/06/40/409430640.db2.gz	DCVXVBLVCRIBJC-LLVKDONJSA-N	2	2	198.354	2.236	20	0		AEADLP
CC[C@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1	70613867	409431678	/nfs/dbraw/zinc/43/16/78/409431678.db2.gz	DCVXVBLVCRIBJC-NSHDSACASA-N	2	2	198.354	2.236	20	0		AEADLP
CC[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1	70613867	409431682	/nfs/dbraw/zinc/43/16/82/409431682.db2.gz	DCVXVBLVCRIBJC-NSHDSACASA-N	2	2	198.354	2.236	20	0		AEADLP
CC/C=C\CC[NH2+]C(C)(C)C[NH+](C)C	656615607	409444887	/nfs/dbraw/zinc/44/48/87/409444887.db2.gz	DKKPTXYIWRYZHC-FPLPWBNLSA-N	2	2	198.354	2.273	20	0		AEADLP
CC/C=C/CC[NH2+]C(C)(C)C[NH+](C)C	656615606	409445631	/nfs/dbraw/zinc/44/56/31/409445631.db2.gz	DKKPTXYIWRYZHC-BQYQJAHWSA-N	2	2	198.354	2.273	20	0		AEADLP
CCC(CC)C[N@@H+](C)CC(C)(C)[NH3+]	656783676	409450378	/nfs/dbraw/zinc/45/03/78/409450378.db2.gz	TVLUXFCTXHNKJE-UHFFFAOYSA-N	2	2	186.343	2.092	20	0		AEADLP
CCC(CC)C[N@H+](C)CC(C)(C)[NH3+]	656783676	409450375	/nfs/dbraw/zinc/45/03/75/409450375.db2.gz	TVLUXFCTXHNKJE-UHFFFAOYSA-N	2	2	186.343	2.092	20	0		AEADLP
CCC[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C	657285074	409465952	/nfs/dbraw/zinc/46/59/52/409465952.db2.gz	VXPOZYBAKKFGNC-VIFPVBQESA-N	2	2	195.310	2.007	20	0		AEADLP
CCC[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C	657285073	409466316	/nfs/dbraw/zinc/46/63/16/409466316.db2.gz	VXPOZYBAKKFGNC-SECBINFHSA-N	2	2	195.310	2.007	20	0		AEADLP
CCC(CC)[NH2+]Cc1c[nH+]c(C)n1C	657286444	409467777	/nfs/dbraw/zinc/46/77/77/409467777.db2.gz	OFZLRTIICHCAAF-UHFFFAOYSA-N	2	2	195.310	2.007	20	0		AEADLP
CCCCC[NH2+]Cc1c[nH+]c(C)n1C	657287210	409467850	/nfs/dbraw/zinc/46/78/50/409467850.db2.gz	IKMMOECEOKDOJP-UHFFFAOYSA-N	2	2	195.310	2.008	20	0		AEADLP
CCC(C)(C)[NH2+]Cc1c[nH+]c(C)n1C	657339241	409472034	/nfs/dbraw/zinc/47/20/34/409472034.db2.gz	PXEYGMDHBGODOM-UHFFFAOYSA-N	2	2	195.310	2.007	20	0		AEADLP
CC(C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1	657562726	409480894	/nfs/dbraw/zinc/48/08/94/409480894.db2.gz	OJEBLLLPZZBWME-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1	657562726	409480897	/nfs/dbraw/zinc/48/08/97/409480897.db2.gz	OJEBLLLPZZBWME-NSHDSACASA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1	657562725	409481236	/nfs/dbraw/zinc/48/12/36/409481236.db2.gz	OJEBLLLPZZBWME-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1	657562725	409481239	/nfs/dbraw/zinc/48/12/39/409481239.db2.gz	OJEBLLLPZZBWME-LLVKDONJSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+][C@H](C)CC1CCC1)[NH+](C)C	133291295	409494223	/nfs/dbraw/zinc/49/42/23/409494223.db2.gz	WTCRSOQAHGDDHC-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](CC1CCC1)[NH2+]C[C@H](C)[NH+](C)C	133291096	409494841	/nfs/dbraw/zinc/49/48/41/409494841.db2.gz	WTCRSOQAHGDDHC-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1	658092616	409506987	/nfs/dbraw/zinc/50/69/87/409506987.db2.gz	QUNULISOTKUOLC-MNOVXSKESA-N	2	2	198.354	2.247	20	0		AEADLP
CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1	658092616	409506990	/nfs/dbraw/zinc/50/69/90/409506990.db2.gz	QUNULISOTKUOLC-MNOVXSKESA-N	2	2	198.354	2.247	20	0		AEADLP
CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1	658092615	409507105	/nfs/dbraw/zinc/50/71/05/409507105.db2.gz	QUNULISOTKUOLC-GHMZBOCLSA-N	2	2	198.354	2.247	20	0		AEADLP
CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1	658092615	409507107	/nfs/dbraw/zinc/50/71/07/409507107.db2.gz	QUNULISOTKUOLC-GHMZBOCLSA-N	2	2	198.354	2.247	20	0		AEADLP
CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1	658092618	409507119	/nfs/dbraw/zinc/50/71/19/409507119.db2.gz	QUNULISOTKUOLC-QWRGUYRKSA-N	2	2	198.354	2.247	20	0		AEADLP
CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1	658092618	409507123	/nfs/dbraw/zinc/50/71/23/409507123.db2.gz	QUNULISOTKUOLC-QWRGUYRKSA-N	2	2	198.354	2.247	20	0		AEADLP
CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1	658092620	409507558	/nfs/dbraw/zinc/50/75/58/409507558.db2.gz	QUNULISOTKUOLC-WDEREUQCSA-N	2	2	198.354	2.247	20	0		AEADLP
CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1	658092620	409507561	/nfs/dbraw/zinc/50/75/61/409507561.db2.gz	QUNULISOTKUOLC-WDEREUQCSA-N	2	2	198.354	2.247	20	0		AEADLP
C[NH2+][C@H]1CC[N@H+](CCCC(C)(C)C)C1	300808798	409537334	/nfs/dbraw/zinc/53/73/34/409537334.db2.gz	FOSCBVSBLFBOBM-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
C[NH2+][C@H]1CC[N@@H+](CCCC(C)(C)C)C1	300808798	409537338	/nfs/dbraw/zinc/53/73/38/409537338.db2.gz	FOSCBVSBLFBOBM-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
C[NH2+][C@@H]1CC[N@H+](CCCC(C)(C)C)C1	300808796	409537752	/nfs/dbraw/zinc/53/77/52/409537752.db2.gz	FOSCBVSBLFBOBM-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
C[NH2+][C@@H]1CC[N@@H+](CCCC(C)(C)C)C1	300808796	409537757	/nfs/dbraw/zinc/53/77/57/409537757.db2.gz	FOSCBVSBLFBOBM-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@]1(C)CCC[N@H+](CC(C)(C)[NH3+])C1	306759898	409586102	/nfs/dbraw/zinc/58/61/02/409586102.db2.gz	WZHDDKJAAUICOR-GFCCVEGCSA-N	2	2	198.354	2.236	20	0		AEADLP
CC[C@]1(C)CCC[N@@H+](CC(C)(C)[NH3+])C1	306759898	409586108	/nfs/dbraw/zinc/58/61/08/409586108.db2.gz	WZHDDKJAAUICOR-GFCCVEGCSA-N	2	2	198.354	2.236	20	0		AEADLP
CC[C@@]1(C)CCC[N@@H+](CC(C)(C)[NH3+])C1	306759900	409587416	/nfs/dbraw/zinc/58/74/16/409587416.db2.gz	WZHDDKJAAUICOR-LBPRGKRZSA-N	2	2	198.354	2.236	20	0		AEADLP
CC[C@@]1(C)CCC[N@H+](CC(C)(C)[NH3+])C1	306759900	409587407	/nfs/dbraw/zinc/58/74/07/409587407.db2.gz	WZHDDKJAAUICOR-LBPRGKRZSA-N	2	2	198.354	2.236	20	0		AEADLP
CC(C)=CCC[NH2+]C(C)(C)C[NH+](C)C	660762527	409616138	/nfs/dbraw/zinc/61/61/38/409616138.db2.gz	BADADVPBPYOMEW-UHFFFAOYSA-N	2	2	198.354	2.273	20	0		AEADLP
CC[C@@H](C)[N@H+](CC)CCn1cc[nH+]c1	661109309	409634517	/nfs/dbraw/zinc/63/45/17/409634517.db2.gz	ZGGZRXLDNGBQAJ-LLVKDONJSA-N	2	2	195.310	2.004	20	0		AEADLP
CC[C@@H](C)[N@@H+](CC)CCn1cc[nH+]c1	661109309	409634524	/nfs/dbraw/zinc/63/45/24/409634524.db2.gz	ZGGZRXLDNGBQAJ-LLVKDONJSA-N	2	2	195.310	2.004	20	0		AEADLP
CC[C@H](C)[N@H+](CC)CCn1cc[nH+]c1	661109310	409634911	/nfs/dbraw/zinc/63/49/11/409634911.db2.gz	ZGGZRXLDNGBQAJ-NSHDSACASA-N	2	2	195.310	2.004	20	0		AEADLP
CC[C@H](C)[N@@H+](CC)CCn1cc[nH+]c1	661109310	409634915	/nfs/dbraw/zinc/63/49/15/409634915.db2.gz	ZGGZRXLDNGBQAJ-NSHDSACASA-N	2	2	195.310	2.004	20	0		AEADLP
C[C@H]1C[C@@H](C)CC[N@H+](CC(C)(C)[NH3+])C1	307404794	409640675	/nfs/dbraw/zinc/64/06/75/409640675.db2.gz	CGBALPZTUVZBKT-QWRGUYRKSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H]1C[C@@H](C)CC[N@@H+](CC(C)(C)[NH3+])C1	307404794	409640679	/nfs/dbraw/zinc/64/06/79/409640679.db2.gz	CGBALPZTUVZBKT-QWRGUYRKSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H](C)C1	307404791	409641659	/nfs/dbraw/zinc/64/16/59/409641659.db2.gz	CGBALPZTUVZBKT-MNOVXSKESA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H](C)C1	307404791	409641668	/nfs/dbraw/zinc/64/16/68/409641668.db2.gz	CGBALPZTUVZBKT-MNOVXSKESA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H](C)C1	307404788	409641865	/nfs/dbraw/zinc/64/18/65/409641865.db2.gz	CGBALPZTUVZBKT-GHMZBOCLSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H](C)C1	307404788	409641869	/nfs/dbraw/zinc/64/18/69/409641869.db2.gz	CGBALPZTUVZBKT-GHMZBOCLSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H](C)C1	307404796	409642456	/nfs/dbraw/zinc/64/24/56/409642456.db2.gz	CGBALPZTUVZBKT-WDEREUQCSA-N	2	2	198.354	2.092	20	0		AEADLP
C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H](C)C1	307404796	409642463	/nfs/dbraw/zinc/64/24/63/409642463.db2.gz	CGBALPZTUVZBKT-WDEREUQCSA-N	2	2	198.354	2.092	20	0		AEADLP
CC(C)CC1([NH2+]Cc2c[nH+]c[nH]2)CC1	662071364	409686237	/nfs/dbraw/zinc/68/62/37/409686237.db2.gz	JVLNOQRAQHDMPI-UHFFFAOYSA-N	2	2	193.294	2.078	20	0		AEADLP
C[NH2+][C@@H]1CCC[N@H+](CCC=C(C)C)C1	662246801	409705529	/nfs/dbraw/zinc/70/55/29/409705529.db2.gz	RWKUOHVXKRZIGD-GFCCVEGCSA-N	2	2	196.338	2.027	20	0		AEADLP
C[NH2+][C@@H]1CCC[N@@H+](CCC=C(C)C)C1	662246801	409705538	/nfs/dbraw/zinc/70/55/38/409705538.db2.gz	RWKUOHVXKRZIGD-GFCCVEGCSA-N	2	2	196.338	2.027	20	0		AEADLP
C[NH2+][C@H]1CCC[N@H+](CCC=C(C)C)C1	662246802	409708087	/nfs/dbraw/zinc/70/80/87/409708087.db2.gz	RWKUOHVXKRZIGD-LBPRGKRZSA-N	2	2	196.338	2.027	20	0		AEADLP
C[NH2+][C@H]1CCC[N@@H+](CCC=C(C)C)C1	662246802	409708096	/nfs/dbraw/zinc/70/80/96/409708096.db2.gz	RWKUOHVXKRZIGD-LBPRGKRZSA-N	2	2	196.338	2.027	20	0		AEADLP
C[NH+](C)CC(C)(C)[NH2+]CC1CCCC1	308609246	409740518	/nfs/dbraw/zinc/74/05/18/409740518.db2.gz	PZURGYZVNHKVLG-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H](CCC1CC1)[NH2+]C[C@H](C)[NH+](C)C	308674322	409749522	/nfs/dbraw/zinc/74/95/22/409749522.db2.gz	VUMUXIHNWLYMJZ-QWRGUYRKSA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@@H](C[NH2+][C@H](C)CCC1CC1)[NH+](C)C	308674321	409749666	/nfs/dbraw/zinc/74/96/66/409749666.db2.gz	VUMUXIHNWLYMJZ-MNOVXSKESA-N	2	2	198.354	2.105	20	0		AEADLP
C[C@H]([NH3+])C[N@@H+](C1CCCCC1)C1CC1	309022225	409767341	/nfs/dbraw/zinc/76/73/41/409767341.db2.gz	XVWCCUXYHMKYKZ-JTQLQIEISA-N	2	2	196.338	2.131	20	0		AEADLP
C[C@H]([NH3+])C[N@H+](C1CCCCC1)C1CC1	309022225	409767352	/nfs/dbraw/zinc/76/73/52/409767352.db2.gz	XVWCCUXYHMKYKZ-JTQLQIEISA-N	2	2	196.338	2.131	20	0		AEADLP
C[C@@H]([NH3+])C[N@@H+](C1CCCCC1)C1CC1	309022226	409767518	/nfs/dbraw/zinc/76/75/18/409767518.db2.gz	XVWCCUXYHMKYKZ-SNVBAGLBSA-N	2	2	196.338	2.131	20	0		AEADLP
C[C@@H]([NH3+])C[N@H+](C1CCCCC1)C1CC1	309022226	409767522	/nfs/dbraw/zinc/76/75/22/409767522.db2.gz	XVWCCUXYHMKYKZ-SNVBAGLBSA-N	2	2	196.338	2.131	20	0		AEADLP
CC(C)[N@H+](CC1CCC1)CC(C)(C)[NH3+]	309104334	409771789	/nfs/dbraw/zinc/77/17/89/409771789.db2.gz	HEXGUJMIPARDFS-UHFFFAOYSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)[N@@H+](CC1CCC1)CC(C)(C)[NH3+]	309104334	409771793	/nfs/dbraw/zinc/77/17/93/409771793.db2.gz	HEXGUJMIPARDFS-UHFFFAOYSA-N	2	2	198.354	2.234	20	0		AEADLP
CC1=CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)CC1	379618018	409855582	/nfs/dbraw/zinc/85/55/82/409855582.db2.gz	ASGVWJHROKIDFK-RYUDHWBXSA-N	2	2	196.338	2.025	20	0		AEADLP
CC1=CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)CC1	379618017	409857751	/nfs/dbraw/zinc/85/77/51/409857751.db2.gz	ASGVWJHROKIDFK-NWDGAFQWSA-N	2	2	196.338	2.025	20	0		AEADLP
C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccs1	665294490	409868624	/nfs/dbraw/zinc/86/86/24/409868624.db2.gz	PQZDZPCIOULILZ-DTWKUNHWSA-N	2	2	198.335	2.007	20	0		AEADLP
C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccs1	665294492	409868732	/nfs/dbraw/zinc/86/87/32/409868732.db2.gz	PQZDZPCIOULILZ-RKDXNWHRSA-N	2	2	198.335	2.007	20	0		AEADLP
C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccsc1	665294199	409868853	/nfs/dbraw/zinc/86/88/53/409868853.db2.gz	KDPJCFAQMGQGFW-BDAKNGLRSA-N	2	2	198.335	2.007	20	0		AEADLP
C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccsc1	665294202	409868916	/nfs/dbraw/zinc/86/89/16/409868916.db2.gz	KDPJCFAQMGQGFW-RKDXNWHRSA-N	2	2	198.335	2.007	20	0		AEADLP
C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccs1	665294491	409869121	/nfs/dbraw/zinc/86/91/21/409869121.db2.gz	PQZDZPCIOULILZ-IUCAKERBSA-N	2	2	198.335	2.007	20	0		AEADLP
C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccs1	665294489	409869765	/nfs/dbraw/zinc/86/97/65/409869765.db2.gz	PQZDZPCIOULILZ-BDAKNGLRSA-N	2	2	198.335	2.007	20	0		AEADLP
C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccsc1	665294200	409870260	/nfs/dbraw/zinc/87/02/60/409870260.db2.gz	KDPJCFAQMGQGFW-DTWKUNHWSA-N	2	2	198.335	2.007	20	0		AEADLP
C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccsc1	665294201	409870590	/nfs/dbraw/zinc/87/05/90/409870590.db2.gz	KDPJCFAQMGQGFW-IUCAKERBSA-N	2	2	198.335	2.007	20	0		AEADLP
CCC[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1	380169482	409873913	/nfs/dbraw/zinc/87/39/13/409873913.db2.gz	DDQIYFPUFYTPJT-NSHDSACASA-N	2	2	198.354	2.236	20	0		AEADLP
CCC[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1	380169482	409873919	/nfs/dbraw/zinc/87/39/19/409873919.db2.gz	DDQIYFPUFYTPJT-NSHDSACASA-N	2	2	198.354	2.236	20	0		AEADLP
CCC[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1	380169480	409873984	/nfs/dbraw/zinc/87/39/84/409873984.db2.gz	DDQIYFPUFYTPJT-LLVKDONJSA-N	2	2	198.354	2.236	20	0		AEADLP
CCC[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1	380169480	409873988	/nfs/dbraw/zinc/87/39/88/409873988.db2.gz	DDQIYFPUFYTPJT-LLVKDONJSA-N	2	2	198.354	2.236	20	0		AEADLP
CC[C@H](C)[C@@H](C)[N@H+](C[C@@H](C)[NH3+])C1CC1	380360142	409878196	/nfs/dbraw/zinc/87/81/96/409878196.db2.gz	XZVONOYUVCVBEW-HBNTYKKESA-N	2	2	198.354	2.233	20	0		AEADLP
CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](C)[NH3+])C1CC1	380360142	409878201	/nfs/dbraw/zinc/87/82/01/409878201.db2.gz	XZVONOYUVCVBEW-HBNTYKKESA-N	2	2	198.354	2.233	20	0		AEADLP
CC[C@H](C)[C@H](C)[N@H+](C[C@@H](C)[NH3+])C1CC1	380360139	409878726	/nfs/dbraw/zinc/87/87/26/409878726.db2.gz	XZVONOYUVCVBEW-AXFHLTTASA-N	2	2	198.354	2.233	20	0		AEADLP
CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](C)[NH3+])C1CC1	380360139	409878737	/nfs/dbraw/zinc/87/87/37/409878737.db2.gz	XZVONOYUVCVBEW-AXFHLTTASA-N	2	2	198.354	2.233	20	0		AEADLP
CC[C@H](C)[C@@H](C)[N@H+](C[C@H](C)[NH3+])C1CC1	380360141	409879697	/nfs/dbraw/zinc/87/96/97/409879697.db2.gz	XZVONOYUVCVBEW-GARJFASQSA-N	2	2	198.354	2.233	20	0		AEADLP
CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](C)[NH3+])C1CC1	380360141	409879704	/nfs/dbraw/zinc/87/97/04/409879704.db2.gz	XZVONOYUVCVBEW-GARJFASQSA-N	2	2	198.354	2.233	20	0		AEADLP
CC[C@H](C)[C@H](C)[N@H+](C[C@H](C)[NH3+])C1CC1	380360140	409879792	/nfs/dbraw/zinc/87/97/92/409879792.db2.gz	XZVONOYUVCVBEW-DCAQKATOSA-N	2	2	198.354	2.233	20	0		AEADLP
CC[C@H](C)[C@H](C)[N@@H+](C[C@H](C)[NH3+])C1CC1	380360140	409879798	/nfs/dbraw/zinc/87/97/98/409879798.db2.gz	XZVONOYUVCVBEW-DCAQKATOSA-N	2	2	198.354	2.233	20	0		AEADLP
CCC1([NH2+]Cc2c[nH+]c[nH]2)CCCC1	382584507	409908017	/nfs/dbraw/zinc/90/80/17/409908017.db2.gz	WYRNDDOFFOMXSU-UHFFFAOYSA-N	2	2	193.294	2.222	20	0		AEADLP
CC/C=C/C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1	386014971	409933295	/nfs/dbraw/zinc/93/32/95/409933295.db2.gz	NKOSZLBULOWWIO-WBIIUDBISA-N	2	2	196.338	2.073	20	0		AEADLP
CC/C=C/C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1	386014972	409934807	/nfs/dbraw/zinc/93/48/07/409934807.db2.gz	NKOSZLBULOWWIO-XCOQAZTISA-N	2	2	196.338	2.073	20	0		AEADLP
CC/C=C\C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1	386014968	409934905	/nfs/dbraw/zinc/93/49/05/409934905.db2.gz	NKOSZLBULOWWIO-CZVUKNJHSA-N	2	2	196.338	2.073	20	0		AEADLP
CC/C=C\C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1	386014969	409935933	/nfs/dbraw/zinc/93/59/33/409935933.db2.gz	NKOSZLBULOWWIO-GJJFQZOLSA-N	2	2	196.338	2.073	20	0		AEADLP
C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H](C)[NH3+]	389213912	409965153	/nfs/dbraw/zinc/96/51/53/409965153.db2.gz	JSCJTGHVJOUTAZ-MNOVXSKESA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H](C)[NH3+]	389213912	409965160	/nfs/dbraw/zinc/96/51/60/409965160.db2.gz	JSCJTGHVJOUTAZ-MNOVXSKESA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]([NH3+])C[N@H+](C)[C@@H](C)C1CCCCC1	389213913	409966949	/nfs/dbraw/zinc/96/69/49/409966949.db2.gz	JSCJTGHVJOUTAZ-QWRGUYRKSA-N	2	2	198.354	2.234	20	0		AEADLP
C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)C1CCCCC1	389213913	409966954	/nfs/dbraw/zinc/96/69/54/409966954.db2.gz	JSCJTGHVJOUTAZ-QWRGUYRKSA-N	2	2	198.354	2.234	20	0		AEADLP
CCC(C)(C)CC[N@@H+]1CCC[NH2+]CC1	394472855	409998309	/nfs/dbraw/zinc/99/83/09/409998309.db2.gz	YRSRQGKYMTXIAH-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CCC(C)(C)CC[N@H+]1CCC[NH2+]CC1	394472855	409998319	/nfs/dbraw/zinc/99/83/19/409998319.db2.gz	YRSRQGKYMTXIAH-UHFFFAOYSA-N	2	2	198.354	2.108	20	0		AEADLP
CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1	395085422	410002043	/nfs/dbraw/zinc/00/20/43/410002043.db2.gz	CMUKOAJPRUKGTD-RYUDHWBXSA-N	2	2	196.338	2.073	20	0		AEADLP
CC(C)=CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1	395085426	410002138	/nfs/dbraw/zinc/00/21/38/410002138.db2.gz	CMUKOAJPRUKGTD-VXGBXAGGSA-N	2	2	196.338	2.073	20	0		AEADLP
CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1	395085415	410002533	/nfs/dbraw/zinc/00/25/33/410002533.db2.gz	CMUKOAJPRUKGTD-NEPJUHHUSA-N	2	2	196.338	2.073	20	0		AEADLP
CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1	395085420	410003517	/nfs/dbraw/zinc/00/35/17/410003517.db2.gz	CMUKOAJPRUKGTD-NWDGAFQWSA-N	2	2	196.338	2.073	20	0		AEADLP
CC[C@H]([NH2+]CC[NH+](C)C)C1CCCC1	395696308	410007611	/nfs/dbraw/zinc/00/76/11/410007611.db2.gz	BSCCDMSQEAQCEE-LBPRGKRZSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@@H]([NH2+]CC[NH+](C)C)C1CCCC1	395696307	410007902	/nfs/dbraw/zinc/00/79/02/410007902.db2.gz	BSCCDMSQEAQCEE-GFCCVEGCSA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)C[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+]	396779878	410011144	/nfs/dbraw/zinc/01/11/44/410011144.db2.gz	UNHJXXFLDJBXOO-LLVKDONJSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@H]1CCC[N@H+]1CC(C)(C)[NH3+]	396779878	410011153	/nfs/dbraw/zinc/01/11/53/410011153.db2.gz	UNHJXXFLDJBXOO-LLVKDONJSA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+]	396779880	410011587	/nfs/dbraw/zinc/01/15/87/410011587.db2.gz	UNHJXXFLDJBXOO-NSHDSACASA-N	2	2	198.354	2.234	20	0		AEADLP
CC(C)C[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+]	396779880	410011592	/nfs/dbraw/zinc/01/15/92/410011592.db2.gz	UNHJXXFLDJBXOO-NSHDSACASA-N	2	2	198.354	2.234	20	0		AEADLP
CC[C@H](C)C[NH2+]CC[N@@H+]1CCC[C@@H]1C	308578601	573413039	/nfs/dbraw/zinc/41/30/39/573413039.db2.gz	FOLHVYNOXWKOLL-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CC[C@H](C)C[NH2+]CC[N@H+]1CCC[C@@H]1C	308578601	573413042	/nfs/dbraw/zinc/41/30/42/573413042.db2.gz	FOLHVYNOXWKOLL-RYUDHWBXSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C	308596694	573479635	/nfs/dbraw/zinc/47/96/35/573479635.db2.gz	MVVSMYYXTDFTHP-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C	308596694	573479641	/nfs/dbraw/zinc/47/96/41/573479641.db2.gz	MVVSMYYXTDFTHP-NEPJUHHUSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)C(C)(C)C	96610134	573632784	/nfs/dbraw/zinc/63/27/84/573632784.db2.gz	TXZFEMFGEABTIS-VIFPVBQESA-N	2	2	195.310	2.182	20	0		AEADLP
C[NH2+]CC[N@H+](C)[C@@H]1C=CCCCCC1	308452378	573847295	/nfs/dbraw/zinc/84/72/95/573847295.db2.gz	HBPJQOAUVDRKDR-GFCCVEGCSA-N	2	2	196.338	2.027	20	0		AEADLP
C[NH2+]CC[N@@H+](C)[C@@H]1C=CCCCCC1	308452378	573847299	/nfs/dbraw/zinc/84/72/99/573847299.db2.gz	HBPJQOAUVDRKDR-GFCCVEGCSA-N	2	2	196.338	2.027	20	0		AEADLP
CCCCCC[N@@H+]1CCC[C@@H]([NH2+]C)C1	53201389	630028172	/nfs/dbraw/zinc/02/81/72/630028172.db2.gz	LCKYJAFHCIYRKS-GFCCVEGCSA-N	2	2	198.354	2.251	20	0		AEADLP
CCCCCC[N@H+]1CCC[C@@H]([NH2+]C)C1	53201389	630028178	/nfs/dbraw/zinc/02/81/78/630028178.db2.gz	LCKYJAFHCIYRKS-GFCCVEGCSA-N	2	2	198.354	2.251	20	0		AEADLP
CCCC[NH2+]CC[N@@H+]1CCC[C@@H](C)C1	53343727	630031171	/nfs/dbraw/zinc/03/11/71/630031171.db2.gz	OVOPFLCWNFWSAW-GFCCVEGCSA-N	2	2	198.354	2.108	20	0		AEADLP
CCCC[NH2+]CC[N@H+]1CCC[C@@H](C)C1	53343727	630031175	/nfs/dbraw/zinc/03/11/75/630031175.db2.gz	OVOPFLCWNFWSAW-GFCCVEGCSA-N	2	2	198.354	2.108	20	0		AEADLP
CCCC[NH2+]CC[N@@H+]1CCC[C@H](C)C1	53343726	630031419	/nfs/dbraw/zinc/03/14/19/630031419.db2.gz	OVOPFLCWNFWSAW-LBPRGKRZSA-N	2	2	198.354	2.108	20	0		AEADLP
CCCC[NH2+]CC[N@H+]1CCC[C@H](C)C1	53343726	630031425	/nfs/dbraw/zinc/03/14/25/630031425.db2.gz	OVOPFLCWNFWSAW-LBPRGKRZSA-N	2	2	198.354	2.108	20	0		AEADLP
CCCC[NH2+]CC[N@H+](C)CCCC	53344992	630031681	/nfs/dbraw/zinc/03/16/81/630031681.db2.gz	OYDUXDWXFRSMOH-UHFFFAOYSA-N	2	2	186.343	2.108	20	0		AEADLP
CCCC[NH2+]CC[N@@H+](C)CCCC	53344992	630031695	/nfs/dbraw/zinc/03/16/95/630031695.db2.gz	OYDUXDWXFRSMOH-UHFFFAOYSA-N	2	2	186.343	2.108	20	0		AEADLP
C[C@H]1CCC[N@@H+]1CC[NH2+]CC(C)(C)C	164913224	630837961	/nfs/dbraw/zinc/83/79/61/630837961.db2.gz	OLLVKIKCCYMRGF-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@H]1CCC[N@H+]1CC[NH2+]CC(C)(C)C	164913224	630837967	/nfs/dbraw/zinc/83/79/67/630837967.db2.gz	OLLVKIKCCYMRGF-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H]1CCC[N@@H+]1CC[NH2+]CC(C)(C)C	164913087	630839787	/nfs/dbraw/zinc/83/97/87/630839787.db2.gz	OLLVKIKCCYMRGF-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H]1CCC[N@H+]1CC[NH2+]CC(C)(C)C	164913087	630839790	/nfs/dbraw/zinc/83/97/90/630839790.db2.gz	OLLVKIKCCYMRGF-LLVKDONJSA-N	2	2	198.354	2.106	20	0		AEADLP
CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C	226769213	630852224	/nfs/dbraw/zinc/85/22/24/630852224.db2.gz	KKIPSBDIKCXHHM-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C	226769213	630852228	/nfs/dbraw/zinc/85/22/28/630852228.db2.gz	KKIPSBDIKCXHHM-NWDGAFQWSA-N	2	2	198.354	2.105	20	0		AEADLP
CC(C)CC[NH2+]CC1([NH+](C)C)CCC1	165143965	1224196981	/nfs/dbraw/zinc/19/69/81/1224196981.db2.gz	VTCCMRKJCOMADT-UHFFFAOYSA-N	2	2	198.354	2.106	20	0		AEADLP
C[C@@H](CC1CCCC1)[NH2+]CC[NH+](C)C	389357986	538440860	/nfs/dbraw/zinc/44/08/60/538440860.db2.gz	RCSSEHZFZFYTTO-NSHDSACASA-N	2	2	198.354	2.106	20	0		AEADLP