smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCC[NH2+]C1CC[NH+](CC)CC1	388661238	538435518	/nfs/dbraw/zinc/43/55/18/538435518.db2.gz	CWPWBRYTLHXORS-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
CCCCCCC[N@@H+]1CC[C@@](C)([NH3+])C1	405707796	757214046	/nfs/dbraw/zinc/21/40/46/757214046.db2.gz	DEOSAVIVNZGCGE-GFCCVEGCSA-N	2	0	198.354	2.380	10	30		AEEERP
CCCCCCC[N@@H+]1CC[C@](C)([NH3+])C1	405707798	757216005	/nfs/dbraw/zinc/21/60/05/757216005.db2.gz	DEOSAVIVNZGCGE-LBPRGKRZSA-N	2	0	198.354	2.380	10	30		AEEERP
C=CCCCCC[N@H+]1CC[C@@](C)([NH3+])C1	405761007	757220996	/nfs/dbraw/zinc/22/09/96/757220996.db2.gz	VUCUDWVLHARUEO-GFCCVEGCSA-N	2	0	196.338	2.156	10	30		AEEERP
C=CCCCCC[N@H+]1CC[C@](C)([NH3+])C1	405761009	757225852	/nfs/dbraw/zinc/22/58/52/757225852.db2.gz	VUCUDWVLHARUEO-LBPRGKRZSA-N	2	0	196.338	2.156	10	30		AEEERP
C=CCCC[N@@H+](C)C[C@@H]([NH3+])CCCC	220267698	572224952	/nfs/dbraw/zinc/22/49/52/572224952.db2.gz	BNNQBKLZLUDWTQ-LBPRGKRZSA-N	2	0	198.354	2.402	10	30		AEEERP
CC(C)/C=[NH+]/CCCCCC[NH3+]	307875909	572706420	/nfs/dbraw/zinc/70/64/20/572706420.db2.gz	RVOQGJAFUKYDRR-FMIVXFBMSA-N	2	0	170.300	2.232	10	30		AEEERP
C=CCN(CC)C[C@@]1(C)CCCC[NH2+]1	127429790	573900168	/nfs/dbraw/zinc/90/01/68/573900168.db2.gz	PAWJPVMQGVZRNJ-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@@H+](CC(C)(C)CC[NH3+])C1CC1	308474839	573011451	/nfs/dbraw/zinc/01/14/51/573011451.db2.gz	KPQPXHMXWHZQLL-UHFFFAOYSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[NH+](CC=C)CC[C@H]([NH3+])CCC	128536597	573061448	/nfs/dbraw/zinc/06/14/48/573061448.db2.gz	UPJNZPFPSOERSI-GFCCVEGCSA-N	2	0	196.338	2.178	10	30		AEEERP
C=CC[N@@H+](CC[C@H]([NH3+])CCC)C1CC1	128680864	573089800	/nfs/dbraw/zinc/08/98/00/573089800.db2.gz	OMMITTNSYHDKCP-LLVKDONJSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(C[NH3+])C[N@@H+]1C[C@@H](CC)CC[C@H]1C	308502753	573146711	/nfs/dbraw/zinc/14/67/11/573146711.db2.gz	XHKWWXUGFFOROL-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CC)[C@@H](C)CCC[NH2+]CC	132027598	573189001	/nfs/dbraw/zinc/18/90/01/573189001.db2.gz	SMTASKJXYZQLHJ-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@@H+](CCC)[C@@H](C)CC[NH2+]CC	132078877	573204695	/nfs/dbraw/zinc/20/46/95/573204695.db2.gz	ANXXGTHTQASPTM-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@H+](C(C)C)[C@@H](C)[C@@H](C)C[NH2+]C	132103903	573214507	/nfs/dbraw/zinc/21/45/07/573214507.db2.gz	SRTGJSPYLSGGBY-RYUDHWBXSA-N	2	0	198.354	2.127	10	30		AEEERP
C=CC[N@@H+](CCCC[NH2+]CC)C1CC1	132121954	573220771	/nfs/dbraw/zinc/22/07/71/573220771.db2.gz	ZMIXGJVWAADWAK-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1	308518660	573220878	/nfs/dbraw/zinc/22/08/78/573220878.db2.gz	GOTSCLZAVPYIHY-RYUDHWBXSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CCC[N@@H+](C)C[C@@H](C)C[NH2+]CCC	308519468	573227777	/nfs/dbraw/zinc/22/77/77/573227777.db2.gz	GZQPBUCLARTVSP-LBPRGKRZSA-N	2	0	198.354	2.130	10	30		AEEERP
C=C(C[NH3+])C[C@@H]1CCC[N@@H+](C(C)C)C1	258239810	573227849	/nfs/dbraw/zinc/22/78/49/573227849.db2.gz	PZAXQMPCSBOTHD-LBPRGKRZSA-N	2	0	196.338	2.012	10	30		AEEERP
CCCCCCCC[NH2+]C/C=C/C[NH3+]	308524587	573234311	/nfs/dbraw/zinc/23/43/11/573234311.db2.gz	AOVBVSPJYBTLAU-VQHVLOKHSA-N	2	0	198.354	2.451	10	30		AEEERP
C=CCC[N@@H+](C)C[C@@H]1CCC[C@@H]([NH3+])C1	308527932	573235048	/nfs/dbraw/zinc/23/50/48/573235048.db2.gz	JJHAKABDQGXIIQ-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@@H+](C)C[C@@H]1CCC[C@H]([NH3+])C1	308527926	573235286	/nfs/dbraw/zinc/23/52/86/573235286.db2.gz	JJHAKABDQGXIIQ-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@@H+](C)C[C@H]1CCC[C@H]([NH3+])C1	308527930	573236017	/nfs/dbraw/zinc/23/60/17/573236017.db2.gz	JJHAKABDQGXIIQ-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@H+]([C@@H]1CC[C@@H]1C[NH3+])C(C)(C)C	132171824	573240625	/nfs/dbraw/zinc/24/06/25/573240625.db2.gz	KOMXSCTXXFIRIL-GHMZBOCLSA-N	2	0	196.338	2.010	10	30		AEEERP
C=C(C)C[N@H+](CC)CC[C@H]([NH3+])C(C)C	129208058	573261357	/nfs/dbraw/zinc/26/13/57/573261357.db2.gz	KNRGGYCTKVBFFD-LBPRGKRZSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CCCC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1	308560377	573337391	/nfs/dbraw/zinc/33/73/91/573337391.db2.gz	VPALNIQANJSVJO-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@H+](C)CCCCCCC[NH3+]	308558079	573347047	/nfs/dbraw/zinc/34/70/47/573347047.db2.gz	UHUIRTUZUKCFSF-UHFFFAOYSA-N	2	0	198.354	2.404	10	30		AEEERP
C=CCC[N@@H+](C)C[C@H](C)C[NH2+]C(C)C	308558501	573350558	/nfs/dbraw/zinc/35/05/58/573350558.db2.gz	UQSVPIYSNWGZTC-GFCCVEGCSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[C@@H](C)[C@@H]([NH3+])C[NH+]1CCCCC1	715793200	573395373	/nfs/dbraw/zinc/39/53/73/573395373.db2.gz	GZUJEBBCMREYPU-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CC[C@@H](C)CC[NH3+])C1CC1	393388931	571707180	/nfs/dbraw/zinc/70/71/80/571707180.db2.gz	PJRHNSHPBDNQJR-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1	169096854	571803813	/nfs/dbraw/zinc/80/38/13/571803813.db2.gz	MLFREJXVRNSQDJ-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CC[C@H](C)CC[NH3+])C(C)C	393449842	572000672	/nfs/dbraw/zinc/00/06/72/572000672.db2.gz	KQZJJGWEBKHASL-GFCCVEGCSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@@H+](CC[C@@H](C)CC[NH3+])C(C)C	393449844	572001040	/nfs/dbraw/zinc/00/10/40/572001040.db2.gz	KQZJJGWEBKHASL-LBPRGKRZSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@H+](C)CC[C@H]1CCCC[C@H]1[NH3+]	308596859	573481671	/nfs/dbraw/zinc/48/16/71/573481671.db2.gz	ZETPYTWZGVHGHD-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCC[NH2+]CC(C)(C)C[NH+](C)C	70591279	572240047	/nfs/dbraw/zinc/24/00/47/572240047.db2.gz	DNYGOZKJHRCTRG-UHFFFAOYSA-N	2	0	198.354	2.130	10	30		AEEERP
C=CC[N@H+]1CC[C@H](CC[NH3+])CC1(C)C	259323913	573081323	/nfs/dbraw/zinc/08/13/23/573081323.db2.gz	IOKSXKYIIPIOLJ-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CC)CC[C@@H]([NH3+])CCC	128679208	573088290	/nfs/dbraw/zinc/08/82/90/573088290.db2.gz	WYRHSMFLHKTNJD-NSHDSACASA-N	2	0	184.327	2.012	10	30		AEEERP
C=C(C)C[C@H]([NH3+])/C=C\[C@H]([NH3+])CC(=C)C	308262845	573106990	/nfs/dbraw/zinc/10/69/90/573106990.db2.gz	OSZRQWOBZNGHEG-DLXAAPBESA-N	2	0	194.322	2.130	10	30		AEEERP
C=CC[N@@H+](C)C[C@@H](C)C[NH2+]C(C)(C)C	131990760	573137611	/nfs/dbraw/zinc/13/76/11/573137611.db2.gz	OZHAWVGMQQPKNZ-NSHDSACASA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](C)[C@H](C)CC[NH2+]C(C)(C)C	131981332	573137794	/nfs/dbraw/zinc/13/77/94/573137794.db2.gz	RPWBPTWKBZWUHT-LLVKDONJSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[N@@H+](CCC[NH2+]CCC)C1CC1	132128343	573222600	/nfs/dbraw/zinc/22/26/00/573222600.db2.gz	UFIZNYHCYUPCAX-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCCC[NH2+]C[C@@H](C[NH3+])C(C)C	308519040	573223038	/nfs/dbraw/zinc/22/30/38/573223038.db2.gz	WRZUMDFDNMINLP-GFCCVEGCSA-N	2	0	198.354	2.163	10	30		AEEERP
C=CC[N@H+](C1CC1)[C@H](C)CC[NH2+]CC	132146428	573228821	/nfs/dbraw/zinc/22/88/21/573228821.db2.gz	NHSARPAWJAPXAH-LLVKDONJSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCC[NH2+][C@@H]1CCC[N@@H+](C)CC1	308546040	573312446	/nfs/dbraw/zinc/31/24/46/573312446.db2.gz	NYWWQSMNZRFDGL-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(CC[NH3+])C[C@@H]1CCC[N@H+]1C(C)C	258299711	573360867	/nfs/dbraw/zinc/36/08/67/573360867.db2.gz	URWVGHOITBNGLP-LBPRGKRZSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(CC[NH3+])[C@@H]1CCCC[N@H+]1C(C)C	258360613	573454004	/nfs/dbraw/zinc/45/40/04/573454004.db2.gz	ZFNHKJYLWCKUHX-LBPRGKRZSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(CC[NH2+]C)C[C@H]1CCC[N@H+]1CC	258357428	573467432	/nfs/dbraw/zinc/46/74/32/573467432.db2.gz	YZMFPKDQIOXBDN-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@H+](C)CC[C@@H]1CCCC[C@H]1[NH3+]	308596857	573483530	/nfs/dbraw/zinc/48/35/30/573483530.db2.gz	ZETPYTWZGVHGHD-NWDGAFQWSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC[NH3+])C[C@@H]1CCCC[N@H+]1CC	258049063	573505332	/nfs/dbraw/zinc/50/53/32/573505332.db2.gz	CYLZSLKMOAKVIR-LBPRGKRZSA-N	2	0	196.338	2.156	10	30		AEEERP
C=CCCC[N@H+]1CCCC[C@@H](C[NH3+])C1	308642698	573614408	/nfs/dbraw/zinc/61/44/08/573614408.db2.gz	DYRXOFGCWBOWRV-LBPRGKRZSA-N	2	0	196.338	2.013	10	30		AEEERP
C=CCCC[N@H+]1CCCC[C@H](C[NH3+])C1	308642696	573616213	/nfs/dbraw/zinc/61/62/13/573616213.db2.gz	DYRXOFGCWBOWRV-GFCCVEGCSA-N	2	0	196.338	2.013	10	30		AEEERP
C=C(C[NH3+])C[N@@H+]1C[C@@H](CC)CC[C@@H]1C	308502757	573658420	/nfs/dbraw/zinc/65/84/20/573658420.db2.gz	XHKWWXUGFFOROL-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C[C@H](C)[NH2+][C@@H](C)CC[N@H+](C)C(C)C	308679168	573694564	/nfs/dbraw/zinc/69/45/64/573694564.db2.gz	XDVZXQLJURIRSF-RYUDHWBXSA-N	2	0	198.354	2.269	10	30		AEEERP
C=C[C@@H](C)[NH2+][C@@H](C)CCCC[NH+](C)C	308683514	573702539	/nfs/dbraw/zinc/70/25/39/573702539.db2.gz	YORRLRJFJJUSIC-NEPJUHHUSA-N	2	0	198.354	2.271	10	30		AEEERP
CCCCCCCC[NH2+]C[C@@H](C)[NH3+]	126899225	573735365	/nfs/dbraw/zinc/73/53/65/573735365.db2.gz	SYMGHMXKNFWABF-LLVKDONJSA-N	2	0	186.343	2.284	10	30		AEEERP
CCCCCCCC[NH2+]C[C@H](C)[NH3+]	126899439	573738503	/nfs/dbraw/zinc/73/85/03/573738503.db2.gz	SYMGHMXKNFWABF-NSHDSACASA-N	2	0	186.343	2.284	10	30		AEEERP
C=C(C)C[N@H+](CC)CCC[C@H](C)C[NH3+]	131171529	573774163	/nfs/dbraw/zinc/77/41/63/573774163.db2.gz	TYLRCTXEWOSRFH-LBPRGKRZSA-N	2	0	198.354	2.259	10	30		AEEERP
CCCCCCC[NH2+][C@@H](C)CC[NH3+]	100152822	573776558	/nfs/dbraw/zinc/77/65/58/573776558.db2.gz	ONIMRUNKPFQEFG-NSHDSACASA-N	2	0	186.343	2.284	10	30		AEEERP
CCCCCCC[NH2+][C@H](C)CC[NH3+]	100152825	573777028	/nfs/dbraw/zinc/77/70/28/573777028.db2.gz	ONIMRUNKPFQEFG-LLVKDONJSA-N	2	0	186.343	2.284	10	30		AEEERP
CCCCCCCC[C@@H]([NH3+])CC[NH3+]	100298497	573792977	/nfs/dbraw/zinc/79/29/77/573792977.db2.gz	UTRPQUVBUSNAFX-LLVKDONJSA-N	2	0	186.343	2.413	10	30		AEEERP
CCCCCCCC[C@H]([NH3+])CC[NH3+]	100298495	573793446	/nfs/dbraw/zinc/79/34/46/573793446.db2.gz	UTRPQUVBUSNAFX-NSHDSACASA-N	2	0	186.343	2.413	10	30		AEEERP
C=C(C[NH2+]C)C[C@@H]1CCC[N@@H+]1C(C)C	258134401	573802753	/nfs/dbraw/zinc/80/27/53/573802753.db2.gz	JEEKSEQNQRGRIO-LBPRGKRZSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C(C[NH2+]C)C[C@H]1CCC[N@@H+]1C(C)C	258134396	573803159	/nfs/dbraw/zinc/80/31/59/573803159.db2.gz	JEEKSEQNQRGRIO-GFCCVEGCSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[C@H](CC)[NH2+][C@H](C)CC[NH+](C)C	308743319	573811975	/nfs/dbraw/zinc/81/19/75/573811975.db2.gz	PZWQTWGIUQAXQO-NEPJUHHUSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[N@H+](CC)CCCCCCC[NH3+]	131494339	573864598	/nfs/dbraw/zinc/86/45/98/573864598.db2.gz	MIJXHFFFHDNUKW-UHFFFAOYSA-N	2	0	198.354	2.404	10	30		AEEERP
C=CC[N@@H+](CC)C[C@@H]1CCC[C@H]([NH3+])C1	131511304	573864879	/nfs/dbraw/zinc/86/48/79/573864879.db2.gz	FUDSAZWAYCFPHX-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@H+](CC)CCCC[NH2+]C(C)C	131527580	573871152	/nfs/dbraw/zinc/87/11/52/573871152.db2.gz	CAIXYBZIXBOYRV-UHFFFAOYSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@@H+](C)C[C@H](C)CCC[C@H](C)[NH3+]	131449787	573872669	/nfs/dbraw/zinc/87/26/69/573872669.db2.gz	ZNYMIZIAGNYFBA-NEPJUHHUSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@@H+](C)C[C@H](C)CCC[C@@H](C)[NH3+]	131449343	573872901	/nfs/dbraw/zinc/87/29/01/573872901.db2.gz	ZNYMIZIAGNYFBA-VXGBXAGGSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@H+](C)CCCC(C)(C)CC[NH3+]	131469216	573877705	/nfs/dbraw/zinc/87/77/05/573877705.db2.gz	QABYVFOGFXQROP-UHFFFAOYSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[N@@H+](C)CC[C@@H](C[NH3+])CC(C)C	131470317	573880474	/nfs/dbraw/zinc/88/04/74/573880474.db2.gz	URQCNQGMYQGSOL-GFCCVEGCSA-N	2	0	198.354	2.115	10	30		AEEERP
C=CC[N@@H+](C)CC[C@H](C[NH3+])CC(C)C	131470541	573880869	/nfs/dbraw/zinc/88/08/69/573880869.db2.gz	URQCNQGMYQGSOL-LBPRGKRZSA-N	2	0	198.354	2.115	10	30		AEEERP
C=CC[N@@H+](CCC)C[C@H]1CC[C@H]([NH3+])C1	131591110	573889941	/nfs/dbraw/zinc/88/99/41/573889941.db2.gz	KERCJCBTOAUUCT-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCN(C[C@H]([NH3+])CCCC)C(C)C	131609355	573893891	/nfs/dbraw/zinc/89/38/91/573893891.db2.gz	ZFKQKMALIJRGJJ-GFCCVEGCSA-N	2	0	198.354	2.400	10	30		AEEERP
C=CCN(C[C@@H]([NH3+])CC(C)C)C(C)C	131628646	573893523	/nfs/dbraw/zinc/89/35/23/573893523.db2.gz	SHXCVJJTBKZWHJ-LBPRGKRZSA-N	2	0	198.354	2.256	10	30		AEEERP
C=CC[N@H+](C[C@@](C)([NH3+])C1CC1)C(C)C	131615924	573895359	/nfs/dbraw/zinc/89/53/59/573895359.db2.gz	YKVZOAWBGNEYPV-GFCCVEGCSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[N@H+](CC1(C[NH3+])CCC1)C(C)C	131612410	573895495	/nfs/dbraw/zinc/89/54/95/573895495.db2.gz	MBJWZMLXYMBCSG-UHFFFAOYSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CCC(C)(C)[NH3+])C(C)C	131607103	573896730	/nfs/dbraw/zinc/89/67/30/573896730.db2.gz	UGKUTTDOKSOHGC-UHFFFAOYSA-N	2	0	184.327	2.010	10	30		AEEERP
C=CCN(C[C@@H]([NH3+])[C@H](C)CC)C(C)C	131613530	573896074	/nfs/dbraw/zinc/89/60/74/573896074.db2.gz	YQXFZOKZYZUXPT-VXGBXAGGSA-N	2	0	198.354	2.256	10	30		AEEERP
C=CC[N@@H+](CC[C@H]1CCC[NH2+]1)C(C)C	131604113	573896539	/nfs/dbraw/zinc/89/65/39/573896539.db2.gz	DEXLZQFMBBDJLR-GFCCVEGCSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@@H+](CC[C@@H](C)[NH2+]CC)C(C)C	131604874	573896575	/nfs/dbraw/zinc/89/65/75/573896575.db2.gz	OSTNKLRGUDOOMO-GFCCVEGCSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C	715051964	573896635	/nfs/dbraw/zinc/89/66/35/573896635.db2.gz	GGEXNUCZMBEYEQ-RYUDHWBXSA-N	2	0	198.354	2.256	10	30		AEEERP
C=CC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1	715052929	573897978	/nfs/dbraw/zinc/89/79/78/573897978.db2.gz	JMKSKBZRFGDIJM-GHMZBOCLSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C	715051917	573898229	/nfs/dbraw/zinc/89/82/29/573898229.db2.gz	GGEXNUCZMBEYEQ-NEPJUHHUSA-N	2	0	198.354	2.256	10	30		AEEERP
C=CC[C@@H](C)[N@H+](CC)CC(C)(C)C[NH3+]	715052029	573898335	/nfs/dbraw/zinc/89/83/35/573898335.db2.gz	GQYHRLNTPAEZFH-LLVKDONJSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1	715052932	573898486	/nfs/dbraw/zinc/89/84/86/573898486.db2.gz	JMKSKBZRFGDIJM-WDEREUQCSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C	715051918	573900407	/nfs/dbraw/zinc/90/04/07/573900407.db2.gz	GGEXNUCZMBEYEQ-NWDGAFQWSA-N	2	0	198.354	2.256	10	30		AEEERP
C=CC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1	715052930	573900788	/nfs/dbraw/zinc/90/07/88/573900788.db2.gz	JMKSKBZRFGDIJM-MNOVXSKESA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[N@H+](CCC)CC[C@@H](CC)C[NH3+]	131546738	573902192	/nfs/dbraw/zinc/90/21/92/573902192.db2.gz	NEGDGCMODVSYCJ-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[N@@H+](CC)CC1CCC([NH3+])CC1	131541492	573902228	/nfs/dbraw/zinc/90/22/28/573902228.db2.gz	QURAJMBHCVPGSD-UHFFFAOYSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCN(CCC)CC[NH2+][C@H](C)CC	131547692	573902283	/nfs/dbraw/zinc/90/22/83/573902283.db2.gz	GEGWXVGYVUZNIA-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[C@@H](C)N1CCCC[C@H]1C[NH2+]C	715055783	573904250	/nfs/dbraw/zinc/90/42/50/573904250.db2.gz	YWXZQKSWEXCHML-NEPJUHHUSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[C@@H](C)N1CCCC[C@@H]1C[NH2+]C	715055786	573904294	/nfs/dbraw/zinc/90/42/94/573904294.db2.gz	YWXZQKSWEXCHML-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@H+](CCC)CC[C@H](C)[NH2+]CC	131553855	573904573	/nfs/dbraw/zinc/90/45/73/573904573.db2.gz	DLKRWUAZTYJSMV-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@H+](CCC)CC[C@H]1CCC[NH2+]1	131553030	573904606	/nfs/dbraw/zinc/90/46/06/573904606.db2.gz	MEVPMOKXMWJHIV-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@H+](CCC)CC[C@@H](C)[NH2+]CC	131553667	573906180	/nfs/dbraw/zinc/90/61/80/573906180.db2.gz	DLKRWUAZTYJSMV-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CCN(CCC)C[C@H]([NH3+])[C@@H](C)CC	131564153	573906216	/nfs/dbraw/zinc/90/62/16/573906216.db2.gz	DRRODJLZJKLYNI-RYUDHWBXSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[C@H](C)[N@H+](C)[C@@H]1CCC[NH2+]CC1	715055736	573906489	/nfs/dbraw/zinc/90/64/89/573906489.db2.gz	YPBVIAOVXASPGX-NWDGAFQWSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@@H+](C[C@@H]([NH3+])CCC)C(C)(C)C	131722954	573908781	/nfs/dbraw/zinc/90/87/81/573908781.db2.gz	FJLYWTZFGQUCKE-NSHDSACASA-N	2	0	198.354	2.400	10	30		AEEERP
C=CC[N@H+](CC1([NH3+])CCC1)C(C)(C)C	131701272	573910001	/nfs/dbraw/zinc/91/00/01/573910001.db2.gz	QHBNNPCURJTZOF-UHFFFAOYSA-N	2	0	196.338	2.154	10	30		AEEERP
C=CC[N@@H+](C[C@@H](C)CC[NH3+])C(C)(C)C	131707299	573910346	/nfs/dbraw/zinc/91/03/46/573910346.db2.gz	GFJGIWOSXFTCID-NSHDSACASA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@@H+](C[C@@H](CC)C[NH3+])C(C)(C)C	131716682	573910887	/nfs/dbraw/zinc/91/08/87/573910887.db2.gz	IPWJFOBFXGXQRA-NSHDSACASA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@@H+](CCC(C)(C)[NH3+])C(C)(C)C	131705253	573910970	/nfs/dbraw/zinc/91/09/70/573910970.db2.gz	ZPBHMFZWHNJNGO-UHFFFAOYSA-N	2	0	198.354	2.400	10	30		AEEERP
C=CC[C@@H](C)N(C)CC[NH2+]CC(C)C	715058817	573916623	/nfs/dbraw/zinc/91/66/23/573916623.db2.gz	UQVQBCWNFPYHLX-GFCCVEGCSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[C@H](C)N(C)CC[NH2+]CC(C)C	715058818	573918799	/nfs/dbraw/zinc/91/87/99/573918799.db2.gz	UQVQBCWNFPYHLX-LBPRGKRZSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[C@H](C)[N@H+]1CCC[C@@H]1C[NH2+]CC	715070523	573932030	/nfs/dbraw/zinc/93/20/30/573932030.db2.gz	RVXDVKFVEUNIIU-NWDGAFQWSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[C@@H](C)[N@H+]1CCC[C@H]1C[NH2+]CC	715070522	573932342	/nfs/dbraw/zinc/93/23/42/573932342.db2.gz	RVXDVKFVEUNIIU-NEPJUHHUSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C(C)C[N@@H+](CC)CC[C@H]([NH3+])CC	127771896	573936565	/nfs/dbraw/zinc/93/65/65/573936565.db2.gz	KRZMBBHIJVSOEX-LLVKDONJSA-N	2	0	184.327	2.012	10	30		AEEERP
C=C(C)C[N@@H+](CC)CC[C@@H]([NH3+])CC	127771670	573937315	/nfs/dbraw/zinc/93/73/15/573937315.db2.gz	KRZMBBHIJVSOEX-NSHDSACASA-N	2	0	184.327	2.012	10	30		AEEERP
C=CCCCC[NH2+]CC[NH2+]C(C)(C)C	308471588	573958644	/nfs/dbraw/zinc/95/86/44/573958644.db2.gz	IWANBOIFWJPVBL-UHFFFAOYSA-N	2	0	198.354	2.320	10	30		AEEERP
C=CCCCC[NH2+]CCCCCC[NH3+]	238558470	573962545	/nfs/dbraw/zinc/96/25/45/573962545.db2.gz	OKEJWWHAKISAMA-UHFFFAOYSA-N	2	0	198.354	2.451	10	30		AEEERP
C=C(CC[NH2+]C)[C@H]1CCCC[N@H+]1CC	258197655	573989148	/nfs/dbraw/zinc/98/91/48/573989148.db2.gz	NBUDQLGRPAZHAU-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(CC[NH2+]C)[C@@H]1CCCC[N@H+]1CC	258197658	573990402	/nfs/dbraw/zinc/99/04/02/573990402.db2.gz	NBUDQLGRPAZHAU-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@H+](CCC)CC[C@H]([NH3+])CC	127942924	573997829	/nfs/dbraw/zinc/99/78/29/573997829.db2.gz	ATYNRGZOTQXLQG-LLVKDONJSA-N	2	0	184.327	2.012	10	30		AEEERP
C=CCCCCCC[NH2+]CCC[NH3+]	238567701	574000396	/nfs/dbraw/zinc/00/03/96/574000396.db2.gz	HGZRIJZHGRTUBH-UHFFFAOYSA-N	2	0	184.327	2.061	10	30		AEEERP
C=CCCCC[NH+]1CCC(C[NH3+])CC1	1205026221	761887430	/nfs/dbraw/zinc/88/74/30/761887430.db2.gz	PMGXGAJGRYVWLS-UHFFFAOYSA-N	2	0	196.338	2.013	10	30		AEEERP
C=CC[N@@H+](CCCC[NH3+])C(C)(C)C	131722487	1169184759	/nfs/dbraw/zinc/18/47/59/1169184759.db2.gz	GPBKUNJMCMNCAF-UHFFFAOYSA-N	2	0	184.327	2.012	10	30		AEEERP
C=CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1	715049460	674019215	/nfs/dbraw/zinc/01/92/15/674019215.db2.gz	VWRAWAFCCOBRPD-SDDRHHMPSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@@H](C)[N@H+](C)CCCCCC[NH3+]	715004225	674018219	/nfs/dbraw/zinc/01/82/19/674018219.db2.gz	ZZBOCQHRPFUFLI-GFCCVEGCSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CC[C@H](C)[N@H+](C)CCCCCC[NH3+]	715004226	674018353	/nfs/dbraw/zinc/01/83/53/674018353.db2.gz	ZZBOCQHRPFUFLI-LBPRGKRZSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CC[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1	715049151	674019244	/nfs/dbraw/zinc/01/92/44/674019244.db2.gz	UIBAFJCVVAGONX-SDDRHHMPSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1	715049461	674019260	/nfs/dbraw/zinc/01/92/60/674019260.db2.gz	VWRAWAFCCOBRPD-SRVKXCTJSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1	715049463	674019268	/nfs/dbraw/zinc/01/92/68/674019268.db2.gz	VWRAWAFCCOBRPD-TUAOUCFPSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1	715049154	674019429	/nfs/dbraw/zinc/01/94/29/674019429.db2.gz	UIBAFJCVVAGONX-TUAOUCFPSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1	715053681	674019518	/nfs/dbraw/zinc/01/95/18/674019518.db2.gz	NRXKLUCQCOURSX-NWDGAFQWSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1	715053680	674019572	/nfs/dbraw/zinc/01/95/72/674019572.db2.gz	NRXKLUCQCOURSX-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1	715045648	674019597	/nfs/dbraw/zinc/01/95/97/674019597.db2.gz	FIIZENBTLDVQAA-WDEREUQCSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1	715045645	674019672	/nfs/dbraw/zinc/01/96/72/674019672.db2.gz	FIIZENBTLDVQAA-GHMZBOCLSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1	715049153	674019687	/nfs/dbraw/zinc/01/96/87/674019687.db2.gz	UIBAFJCVVAGONX-SRVKXCTJSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1	715045647	674019679	/nfs/dbraw/zinc/01/96/79/674019679.db2.gz	FIIZENBTLDVQAA-QWRGUYRKSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@@H](C)[NH+]1CCC(CC[NH3+])CC1	715054988	674019680	/nfs/dbraw/zinc/01/96/80/674019680.db2.gz	SYEIQVLDYNXQGW-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1	715053682	674019769	/nfs/dbraw/zinc/01/97/69/674019769.db2.gz	NRXKLUCQCOURSX-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1	715049150	674019812	/nfs/dbraw/zinc/01/98/12/674019812.db2.gz	UIBAFJCVVAGONX-QJPTWQEYSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1	715045646	674019831	/nfs/dbraw/zinc/01/98/31/674019831.db2.gz	FIIZENBTLDVQAA-MNOVXSKESA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@H](C)[NH+]1CCC(CC[NH3+])CC1	715054989	674019898	/nfs/dbraw/zinc/01/98/98/674019898.db2.gz	SYEIQVLDYNXQGW-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1	715049459	674019917	/nfs/dbraw/zinc/01/99/17/674019917.db2.gz	VWRAWAFCCOBRPD-QJPTWQEYSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1	715053683	674019941	/nfs/dbraw/zinc/01/99/41/674019941.db2.gz	NRXKLUCQCOURSX-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)C[NH2+]C1CC[NH+](C(C)C)CC1	160186460	1169260852	/nfs/dbraw/zinc/26/08/52/1169260852.db2.gz	GMFAQONXSKNLGL-UHFFFAOYSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCCCC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1	300226731	1169460384	/nfs/dbraw/zinc/46/03/84/1169460384.db2.gz	ZQWPIIIILRARBZ-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)C[NH2+]C1CCC([NH+](C)C)CC1	379616828	1169593545	/nfs/dbraw/zinc/59/35/45/1169593545.db2.gz	ZQJOFSOZSBVUBQ-UHFFFAOYSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[NH2+]C1CC[NH+](C(C)(C)C)CC1	389331616	1169640382	/nfs/dbraw/zinc/64/03/82/1169640382.db2.gz	VHPCBUBSYPNAGI-UHFFFAOYSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[C@@H](C)[NH+]1CCC(C[NH3+])CC1	389867832	1169641200	/nfs/dbraw/zinc/64/12/00/1169641200.db2.gz	HRFGPNZCYUJAMH-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[C@H](C)[NH+]1CCC(C[NH3+])CC1	389867834	1169641331	/nfs/dbraw/zinc/64/13/31/1169641331.db2.gz	HRFGPNZCYUJAMH-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[NH2+]C1CCC([NH+](C)C)CC1	715498955	1169740072	/nfs/dbraw/zinc/74/00/72/1169740072.db2.gz	CIXSHLSRADZRLU-UHFFFAOYSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C(CC)C[NH2+][C@@H]1CCCN(CC)C1	1308818152	1170192422	/nfs/dbraw/zinc/19/24/22/1170192422.db2.gz	SFQXOKCNQKICBX-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(CC)C[NH2+][C@H]1CCCN(CC)C1	1308818154	1170192818	/nfs/dbraw/zinc/19/28/18/1170192818.db2.gz	SFQXOKCNQKICBX-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(C)CC[NH2+][C@@H]1CCCN(CC)C1	1652500051	1170899825	/nfs/dbraw/zinc/89/98/25/1170899825.db2.gz	NEWIEVMSTFRHAN-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(C)CC[NH2+][C@H]1CCCN(CC)C1	1652500052	1170900156	/nfs/dbraw/zinc/90/01/56/1170900156.db2.gz	NEWIEVMSTFRHAN-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCC[NH2+]CCCC[N@@H+](C)C(C)C	70592189	571674258	/nfs/dbraw/zinc/67/42/58/571674258.db2.gz	YTBLDUJGCCZPOK-UHFFFAOYSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CCC[N@H+]1CCCC[C@@H]1CC[NH2+]C	70593396	571674295	/nfs/dbraw/zinc/67/42/95/571674295.db2.gz	KBSGTWYHZFZXOL-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C	70593381	571674450	/nfs/dbraw/zinc/67/44/50/571674450.db2.gz	UCDHALYUANPVRN-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCC[N@@H+](CC)C1CC[NH2+]CC1	70593208	571674500	/nfs/dbraw/zinc/67/45/00/571674500.db2.gz	LNZNCEGTPNXRNG-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C	70593382	571674571	/nfs/dbraw/zinc/67/45/71/571674571.db2.gz	UCDHALYUANPVRN-NWDGAFQWSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@H+]1CCCC[C@H]1CC[NH2+]C	70593395	571674718	/nfs/dbraw/zinc/67/47/18/571674718.db2.gz	KBSGTWYHZFZXOL-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCN(CCC)[C@@H]1CCC[NH2+]C1	70593335	571674900	/nfs/dbraw/zinc/67/49/00/571674900.db2.gz	FNPYAVQJWNJINP-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C	70593384	571674913	/nfs/dbraw/zinc/67/49/13/571674913.db2.gz	UCDHALYUANPVRN-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCC[NH2+]CCC[NH+]1CCCC1	70592379	571675131	/nfs/dbraw/zinc/67/51/31/571675131.db2.gz	NELDIXKCTZVQEX-UHFFFAOYSA-N	2	0	196.338	2.028	10	30		AEEERP
C=CCCC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C	70593383	571675556	/nfs/dbraw/zinc/67/55/56/571675556.db2.gz	UCDHALYUANPVRN-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCN(CCC)[C@H]1CCC[NH2+]C1	70593336	571675642	/nfs/dbraw/zinc/67/56/42/571675642.db2.gz	FNPYAVQJWNJINP-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C1CC[NH+](CC[C@@H](C)CC[NH3+])CC1	393388115	571705494	/nfs/dbraw/zinc/70/54/94/571705494.db2.gz	JDZCBBLNIGYQBW-NSHDSACASA-N	2	0	196.338	2.013	10	30		AEEERP
C=CC[NH+](CC=C)CC[C@H](C)CC[NH3+]	393388934	571707996	/nfs/dbraw/zinc/70/79/96/571707996.db2.gz	PKDDZATYKNCHEY-GFCCVEGCSA-N	2	0	196.338	2.035	10	30		AEEERP
C=C1CC[NH+](CC[C@H](C)CC[NH3+])CC1	393388114	571707881	/nfs/dbraw/zinc/70/78/81/571707881.db2.gz	JDZCBBLNIGYQBW-LLVKDONJSA-N	2	0	196.338	2.013	10	30		AEEERP
C=CC[N@@H+](CC[C@H](C)CC[NH3+])C1CC1	393388930	571709537	/nfs/dbraw/zinc/70/95/37/571709537.db2.gz	PJRHNSHPBDNQJR-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[NH+](CC=C)CC[C@@H](C)CC[NH3+]	393388937	571709658	/nfs/dbraw/zinc/70/96/58/571709658.db2.gz	PKDDZATYKNCHEY-LBPRGKRZSA-N	2	0	196.338	2.035	10	30		AEEERP
C=CCN1CC[C@H]([NH2+]CC)[C@@H]1CCC	712153592	571715964	/nfs/dbraw/zinc/71/59/64/571715964.db2.gz	AFJBAZOCBRPVNF-RYUDHWBXSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCN1CC[C@@H]([NH2+]CC)[C@@H]1CCC	712153590	571716129	/nfs/dbraw/zinc/71/61/29/571716129.db2.gz	AFJBAZOCBRPVNF-NEPJUHHUSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCN1CC[C@H]([NH2+]CC)[C@H]1CCC	712153591	571716192	/nfs/dbraw/zinc/71/61/92/571716192.db2.gz	AFJBAZOCBRPVNF-NWDGAFQWSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCN1CC[C@@H]([NH2+]CC)[C@H]1CCC	712153593	571719373	/nfs/dbraw/zinc/71/93/73/571719373.db2.gz	AFJBAZOCBRPVNF-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
CCCCCCCCC(C[NH3+])C[NH3+]	168887598	571755247	/nfs/dbraw/zinc/75/52/47/571755247.db2.gz	HWCCJGLTCQUZCU-UHFFFAOYSA-N	2	0	186.343	2.271	10	30		AEEERP
C=C(C)C[N@H+](C)CC[C@H]([NH3+])C(C)(C)C	219309355	571792984	/nfs/dbraw/zinc/79/29/84/571792984.db2.gz	ZNUWWMQVBINGDV-NSHDSACASA-N	2	0	198.354	2.258	10	30		AEEERP
C=C(C)C[N@H+](C)CC[C@@H]([NH3+])C(C)(C)C	219309319	571793335	/nfs/dbraw/zinc/79/33/35/571793335.db2.gz	ZNUWWMQVBINGDV-LLVKDONJSA-N	2	0	198.354	2.258	10	30		AEEERP
C=C(C)C[N@@H+](C)CCCC[C@H](C)[NH3+]	219317438	571799634	/nfs/dbraw/zinc/79/96/34/571799634.db2.gz	VQDVKVFLJYEASX-NSHDSACASA-N	2	0	184.327	2.012	10	30		AEEERP
C=C(C)C[N@H+](C)CCCC(C)(C)[NH3+]	219318071	571799759	/nfs/dbraw/zinc/79/97/59/571799759.db2.gz	UWFCRGVXEVEZBD-UHFFFAOYSA-N	2	0	184.327	2.012	10	30		AEEERP
C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1	169096934	571803541	/nfs/dbraw/zinc/80/35/41/571803541.db2.gz	MLFREJXVRNSQDJ-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1	169097019	571805391	/nfs/dbraw/zinc/80/53/91/571805391.db2.gz	MLFREJXVRNSQDJ-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1	169096670	571805891	/nfs/dbraw/zinc/80/58/91/571805891.db2.gz	NEVONQGAQXMDDL-LBPRGKRZSA-N	2	0	196.338	2.013	10	30		AEEERP
C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1	169096771	571806670	/nfs/dbraw/zinc/80/66/70/571806670.db2.gz	MLFREJXVRNSQDJ-NWDGAFQWSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)CC[N@@H+]1CCC[C@H](CC[NH3+])C1	169096573	571807108	/nfs/dbraw/zinc/80/71/08/571807108.db2.gz	NEVONQGAQXMDDL-GFCCVEGCSA-N	2	0	196.338	2.013	10	30		AEEERP
C=CCCCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1	235364983	571846308	/nfs/dbraw/zinc/84/63/08/571846308.db2.gz	ZQWPIIIILRARBZ-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)C[NH2+][C@]1(CN)CCC(C)(C)C1	167510944	571915313	/nfs/dbraw/zinc/91/53/13/571915313.db2.gz	NEPVPNKJADOMAC-GFCCVEGCSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CCCCCC[NH2+][C@@H]1CCN(C)C1	234381133	571918476	/nfs/dbraw/zinc/91/84/76/571918476.db2.gz	INDYKODZIKUDKF-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCN1CCC[C@H]1C[NH2+]C(C)C	711286440	571939108	/nfs/dbraw/zinc/93/91/08/571939108.db2.gz	QJIYGKFZHFSXJN-LBPRGKRZSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCN1CCC[C@@H]1C[NH2+]C(C)C	711286438	571937605	/nfs/dbraw/zinc/93/76/05/571937605.db2.gz	QJIYGKFZHFSXJN-GFCCVEGCSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@H+](CCC)CC[C@@H](C)CC[NH3+]	393446142	571995866	/nfs/dbraw/zinc/99/58/66/571995866.db2.gz	HJUHNAZMRNILFY-LBPRGKRZSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[N@H+](CCC)CC[C@H](C)CC[NH3+]	393446141	571997116	/nfs/dbraw/zinc/99/71/16/571997116.db2.gz	HJUHNAZMRNILFY-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[N@H+]1CC(C)(C)[NH2+]CCC1(C)C	219574919	571998973	/nfs/dbraw/zinc/99/89/73/571998973.db2.gz	IKHDKOOOZWCHQX-UHFFFAOYSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1	300226729	572005689	/nfs/dbraw/zinc/00/56/89/572005689.db2.gz	ZQWPIIIILRARBZ-NWDGAFQWSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCC[N@@H+](C)CC[C@H](C)CC[NH3+]	393454511	572012288	/nfs/dbraw/zinc/01/22/88/572012288.db2.gz	OTELLPOQZOCSOR-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CCCC[N@@H+](C)CC[C@@H](C)CC[NH3+]	393454512	572012983	/nfs/dbraw/zinc/01/29/83/572012983.db2.gz	OTELLPOQZOCSOR-LBPRGKRZSA-N	2	0	198.354	2.259	10	30		AEEERP
C=C(C)C[N@H+](CC)CC[C@@H](C)CC[NH3+]	393460519	572021375	/nfs/dbraw/zinc/02/13/75/572021375.db2.gz	SWCYVFJZRWHUHG-LBPRGKRZSA-N	2	0	198.354	2.259	10	30		AEEERP
C=C(C)C[N@H+](CC)CC[C@H](C)CC[NH3+]	393460518	572021583	/nfs/dbraw/zinc/02/15/83/572021583.db2.gz	SWCYVFJZRWHUHG-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CCCCCC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1	235590193	572037716	/nfs/dbraw/zinc/03/77/16/572037716.db2.gz	ZQWPIIIILRARBZ-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)C[N@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1	85014452	572091531	/nfs/dbraw/zinc/09/15/31/572091531.db2.gz	UPXDFOWVZZLLTQ-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)C[N@H+](CC)C[C@H]1CC[C@H]([NH3+])C1	85014454	572092199	/nfs/dbraw/zinc/09/21/99/572092199.db2.gz	UPXDFOWVZZLLTQ-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C[C@H](C)[N@H+]1CC[C@H]([NH2+]CC)C[C@@H]1C	229232978	572102572	/nfs/dbraw/zinc/10/25/72/572102572.db2.gz	ODMKFHQFVKVCPV-SRVKXCTJSA-N	2	0	196.338	2.023	10	30		AEEERP
C=C(C)C[N@H+](CC)CCC(C)(C)[NH3+]	82777068	572111165	/nfs/dbraw/zinc/11/11/65/572111165.db2.gz	KFPLBHIUBQYPAH-UHFFFAOYSA-N	2	0	184.327	2.012	10	30		AEEERP
C=CC[NH+](CC=C)CCCC(C)(C)[NH3+]	69634360	572126818	/nfs/dbraw/zinc/12/68/18/572126818.db2.gz	IGHOTJKDAQFCDM-UHFFFAOYSA-N	2	0	196.338	2.178	10	30		AEEERP
C=C(C)C[N@H+]1CCCC[C@@H]1CC[NH2+]C	69731164	572134962	/nfs/dbraw/zinc/13/49/62/572134962.db2.gz	DLAUZYXVVHTCER-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH2+]C	69731160	572137675	/nfs/dbraw/zinc/13/76/75/572137675.db2.gz	JSYYJIIIIWFBNP-NWDGAFQWSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH2+]C	69731162	572137759	/nfs/dbraw/zinc/13/77/59/572137759.db2.gz	JSYYJIIIIWFBNP-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C(C)C[N@H+]1CCCC[C@H]1CC[NH2+]C	69731166	572138008	/nfs/dbraw/zinc/13/80/08/572138008.db2.gz	DLAUZYXVVHTCER-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(C)C[N@H+](CC)CCC[C@H](C)[NH3+]	69840638	572149071	/nfs/dbraw/zinc/14/90/71/572149071.db2.gz	BQIMGPQLWAXAAL-NSHDSACASA-N	2	0	184.327	2.012	10	30		AEEERP
C=C(C)C[N@H+](CC)CCC[C@@H](C)[NH3+]	69840635	572150261	/nfs/dbraw/zinc/15/02/61/572150261.db2.gz	BQIMGPQLWAXAAL-LLVKDONJSA-N	2	0	184.327	2.012	10	30		AEEERP
C=C(C)C[N@@H+](CC)CC1([NH3+])CCCC1	37479591	572152313	/nfs/dbraw/zinc/15/23/13/572152313.db2.gz	CJXIFFBKVTTXOY-UHFFFAOYSA-N	2	0	196.338	2.156	10	30		AEEERP
C=C(C)C[N@@H+](CC)C[C@](C)([NH3+])C1CC1	37479188	572153653	/nfs/dbraw/zinc/15/36/53/572153653.db2.gz	XUEHEYBJYRUJTD-LBPRGKRZSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)C[N@@H+](CC)C[C@@](C)([NH3+])C1CC1	37479189	572154021	/nfs/dbraw/zinc/15/40/21/572154021.db2.gz	XUEHEYBJYRUJTD-GFCCVEGCSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)C[N@H+](CC)C[C@H]1CCC[C@@H]1[NH3+]	82922180	572173968	/nfs/dbraw/zinc/17/39/68/572173968.db2.gz	YMSHOSYZIMSPDT-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@H+]1C[C@H](CCC)[NH2+]CC[C@H]1C	82943088	572180789	/nfs/dbraw/zinc/18/07/89/572180789.db2.gz	ABIDAYQDKJGXEW-NEPJUHHUSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@H+]1C[C@@H](CCC)[NH2+]CC[C@H]1C	82943086	572179765	/nfs/dbraw/zinc/17/97/65/572179765.db2.gz	ABIDAYQDKJGXEW-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@@H+]1CCC[NH2+]C(CC)(CC)C1	82942196	572181265	/nfs/dbraw/zinc/18/12/65/572181265.db2.gz	NWIRHPHNPFRLAD-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCC[N@@H+](C)CCC[C@H](C)C[NH3+]	220263455	572222701	/nfs/dbraw/zinc/22/27/01/572222701.db2.gz	FIVDLXKXHNJOOA-LBPRGKRZSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CCCC[N@@H+](C)CC[C@@H](C)[NH2+]CC	220265411	572224803	/nfs/dbraw/zinc/22/48/03/572224803.db2.gz	SBPGDHCYKIPDFP-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CCCC[N@@H+](C)CCCC[C@@H](C)[NH3+]	220275034	572227228	/nfs/dbraw/zinc/22/72/28/572227228.db2.gz	LMGSCBYTDPSVFI-GFCCVEGCSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CCCC[NH2+]CCC[NH+](CC)CC	70591392	572240456	/nfs/dbraw/zinc/24/04/56/572240456.db2.gz	WSDJBKAQKZPSLQ-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=CC[NH+](CC=C)C[C@@H](C[NH3+])CCC	83606244	572346303	/nfs/dbraw/zinc/34/63/03/572346303.db2.gz	WSYBAPUBKLKJTI-GFCCVEGCSA-N	2	0	196.338	2.035	10	30		AEEERP
CCCCN=CNc1cc[nH+]cc1	238218679	572347724	/nfs/dbraw/zinc/34/77/24/572347724.db2.gz	PXHKGODUAFKHPM-UHFFFAOYSA-N	2	0	177.251	2.131	10	30		AEEERP
C=CC(C)(C)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C	307142126	572354384	/nfs/dbraw/zinc/35/43/84/572354384.db2.gz	DLVWWUHBYPSILO-WDEREUQCSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CCCC[C@@H]([NH3+])[C@H]([NH3+])CCCC=C	238659043	572359402	/nfs/dbraw/zinc/35/94/02/572359402.db2.gz	ZEEUJZCLAYSKEJ-VXGBXAGGSA-N	2	0	196.338	2.354	10	30		AEEERP
C=CC(C)(C)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C	307142124	572368623	/nfs/dbraw/zinc/36/86/23/572368623.db2.gz	DLVWWUHBYPSILO-QWRGUYRKSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[NH2+][C@@](CC)(C[NH3+])C[C@H](C)CC	83759121	572387139	/nfs/dbraw/zinc/38/71/39/572387139.db2.gz	KXMWZIQGHWUQHN-VXGBXAGGSA-N	2	0	198.354	2.306	10	30		AEEERP
C=CC[NH2+][C@](CC)(C[NH3+])C[C@H](C)CC	83759119	572385626	/nfs/dbraw/zinc/38/56/26/572385626.db2.gz	KXMWZIQGHWUQHN-NEPJUHHUSA-N	2	0	198.354	2.306	10	30		AEEERP
C=CC[NH2+][C@](CC)(C[NH3+])C[C@@H](C)CC	83759120	572385966	/nfs/dbraw/zinc/38/59/66/572385966.db2.gz	KXMWZIQGHWUQHN-RYUDHWBXSA-N	2	0	198.354	2.306	10	30		AEEERP
C=CC[NH2+][C@@](CC)(C[NH3+])C[C@@H](C)CC	83759122	572386066	/nfs/dbraw/zinc/38/60/66/572386066.db2.gz	KXMWZIQGHWUQHN-NWDGAFQWSA-N	2	0	198.354	2.306	10	30		AEEERP
C=CC[NH2+][C@](CC)(C[NH3+])CCCC	83759526	572388532	/nfs/dbraw/zinc/38/85/32/572388532.db2.gz	CIYHHCHEQVALLV-NSHDSACASA-N	2	0	184.327	2.060	10	30		AEEERP
C=CC[NH2+]C1(C[NH3+])CCCCCCC1	83759277	572389605	/nfs/dbraw/zinc/38/96/05/572389605.db2.gz	XYVRTCAAAMHBIQ-UHFFFAOYSA-N	2	0	196.338	2.204	10	30		AEEERP
C=CC[NH2+][C@@](CC)(C[NH3+])CCCC	83759528	572390893	/nfs/dbraw/zinc/39/08/93/572390893.db2.gz	CIYHHCHEQVALLV-LLVKDONJSA-N	2	0	184.327	2.060	10	30		AEEERP
CC/[NH+]=C/C(C)(C)C[NH2+]C(C)(C)C	238226947	572391731	/nfs/dbraw/zinc/39/17/31/572391731.db2.gz	XQALGSNTJNZLKE-XYOKQWHBSA-N	2	0	184.327	2.491	10	30		AEEERP
C=CC[NH2+]C(C[NH3+])(CCC)CCC	83759272	572391846	/nfs/dbraw/zinc/39/18/46/572391846.db2.gz	KICGHEWCCUQYTM-UHFFFAOYSA-N	2	0	184.327	2.060	10	30		AEEERP
C=CC[NH2+][C@]1(C[NH3+])CCCC(C)(C)C1	83759643	572393388	/nfs/dbraw/zinc/39/33/88/572393388.db2.gz	PVMBWGCCISYXQC-GFCCVEGCSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+][C@@]1(C[NH3+])CCC[C@H](CC)C1	83759904	572393817	/nfs/dbraw/zinc/39/38/17/572393817.db2.gz	CAEFHQAAOVLTRS-RYUDHWBXSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+]C1(C[NH3+])CCC(C)(C)CC1	83759641	572393980	/nfs/dbraw/zinc/39/39/80/572393980.db2.gz	CSKJYRNHOGXGAE-UHFFFAOYSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+][C@@]1(C[NH3+])CCC[C@@H](C)CC1	83759830	572394674	/nfs/dbraw/zinc/39/46/74/572394674.db2.gz	KYHICLLQNNPQPW-NEPJUHHUSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+][C@]1(C[NH3+])CCC[C@@H](C)CC1	83759826	572394698	/nfs/dbraw/zinc/39/46/98/572394698.db2.gz	KYHICLLQNNPQPW-VXGBXAGGSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+][C@@]1(C[NH3+])CCC[C@@H](CC)C1	83759902	572395075	/nfs/dbraw/zinc/39/50/75/572395075.db2.gz	CAEFHQAAOVLTRS-NEPJUHHUSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+][C@@]1(C[NH3+])CCCC(C)(C)C1	83759646	572396356	/nfs/dbraw/zinc/39/63/56/572396356.db2.gz	PVMBWGCCISYXQC-LBPRGKRZSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+][C@]1(C[NH3+])CCC[C@H](C)CC1	83759828	572396663	/nfs/dbraw/zinc/39/66/63/572396663.db2.gz	KYHICLLQNNPQPW-NWDGAFQWSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+][C@@](C)(C[NH3+])CCCCCC	83759767	572396872	/nfs/dbraw/zinc/39/68/72/572396872.db2.gz	QUPQTCFXFKTRDF-GFCCVEGCSA-N	2	0	198.354	2.450	10	30		AEEERP
C=CC[NH2+][C@@]1(C[NH3+])CCC[C@H](C)CC1	83759832	572397160	/nfs/dbraw/zinc/39/71/60/572397160.db2.gz	KYHICLLQNNPQPW-RYUDHWBXSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+][C@]1(C[NH3+])CCC[C@@H](CC)C1	83759896	572397235	/nfs/dbraw/zinc/39/72/35/572397235.db2.gz	CAEFHQAAOVLTRS-VXGBXAGGSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+][C@](C)(C[NH3+])CCCCCC	83759765	572397688	/nfs/dbraw/zinc/39/76/88/572397688.db2.gz	QUPQTCFXFKTRDF-LBPRGKRZSA-N	2	0	198.354	2.450	10	30		AEEERP
C=C1CCC[N@@H+]([C@@H](C)CC[NH2+]CC)C1	688694305	572403004	/nfs/dbraw/zinc/40/30/04/572403004.db2.gz	RZOWMQUJKDQCSA-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C1CCC[N@@H+]([C@H](C)CC[NH2+]CC)C1	688694304	572403261	/nfs/dbraw/zinc/40/32/61/572403261.db2.gz	RZOWMQUJKDQCSA-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
CC/[NH+]=C\C(C)(C)C[NH2+]C(C)(C)C	308026420	572434369	/nfs/dbraw/zinc/43/43/69/572434369.db2.gz	XQALGSNTJNZLKE-WQLSENKSSA-N	2	0	184.327	2.491	10	30		AEEERP
C=C(CC)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C	307307066	572441389	/nfs/dbraw/zinc/44/13/89/572441389.db2.gz	UOCBCOBTFGEXGY-SRVKXCTJSA-N	2	0	196.338	2.010	10	30		AEEERP
CCC[C@H]([NH2+]C)[C@@H](/C=[NH+]/C)CC	238255599	572458094	/nfs/dbraw/zinc/45/80/94/572458094.db2.gz	IXOHANXIZCNAPO-PCYIOHOOSA-N	2	0	170.300	2.101	10	30		AEEERP
C=C(CC)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C	307307068	572464340	/nfs/dbraw/zinc/46/43/40/572464340.db2.gz	UOCBCOBTFGEXGY-TUAOUCFPSA-N	2	0	196.338	2.010	10	30		AEEERP
C=C(CC)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C	307307070	572478073	/nfs/dbraw/zinc/47/80/73/572478073.db2.gz	UOCBCOBTFGEXGY-WOPDTQHZSA-N	2	0	196.338	2.010	10	30		AEEERP
C=C(CC)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C	307307069	572481998	/nfs/dbraw/zinc/48/19/98/572481998.db2.gz	UOCBCOBTFGEXGY-UTUOFQBUSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CCCC[C@@H](C)[NH2+][C@H](C)CN(C)C	713960602	572487122	/nfs/dbraw/zinc/48/71/22/572487122.db2.gz	IGJSTDKANINPHH-VXGBXAGGSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[NH2+][C@@H](CN)CC1CCCCC1	87473549	572508847	/nfs/dbraw/zinc/50/88/47/572508847.db2.gz	XTNBTTOOIGUGRU-GFCCVEGCSA-N	2	0	196.338	2.060	10	30		AEEERP
C=C(CC)C[N@@H+]1CCC[NH2+]C(C)(C)C1	307630958	572628017	/nfs/dbraw/zinc/62/80/17/572628017.db2.gz	XFRSOHDZHCCWJI-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(CC)C[NH2+]CCC[NH+](CC)CC	85057123	572639553	/nfs/dbraw/zinc/63/95/53/572639553.db2.gz	XKMGYJAMKSLKGL-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=C(CC)C[NH2+]CC(C)(C)C[NH+](C)C	85056975	572641190	/nfs/dbraw/zinc/64/11/90/572641190.db2.gz	HMCWORUOVRNTHZ-UHFFFAOYSA-N	2	0	198.354	2.130	10	30		AEEERP
C=C(CC)C[N@@H+]1CCC[C@H](CC[NH3+])C1	85060477	572643029	/nfs/dbraw/zinc/64/30/29/572643029.db2.gz	XHZNQJFPZYUZJA-GFCCVEGCSA-N	2	0	196.338	2.013	10	30		AEEERP
C=C(CC)C[NH+]1CCC([C@@H](C)[NH3+])CC1	85060425	572643309	/nfs/dbraw/zinc/64/33/09/572643309.db2.gz	ICNRVWKWFPSJFY-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1	85060484	572643242	/nfs/dbraw/zinc/64/32/42/572643242.db2.gz	GHWGQBNWYBDGKP-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC)C[N@@H+]1CCC[C@@H](CC[NH3+])C1	85060479	572643602	/nfs/dbraw/zinc/64/36/02/572643602.db2.gz	XHZNQJFPZYUZJA-LBPRGKRZSA-N	2	0	196.338	2.013	10	30		AEEERP
C=C(CC)C[N@@H+](CC)C1CC[NH2+]CC1	85060288	572644018	/nfs/dbraw/zinc/64/40/18/572644018.db2.gz	WEAMDYITDOGMMP-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(CC)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+]	85060393	572644317	/nfs/dbraw/zinc/64/43/17/572644317.db2.gz	CAKVFWLOSYNLPP-VXGBXAGGSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(CC)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+]	85060397	572644419	/nfs/dbraw/zinc/64/44/19/572644419.db2.gz	CAKVFWLOSYNLPP-NEPJUHHUSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(CC)C[NH+]1CCC([C@H](C)[NH3+])CC1	85060429	572644620	/nfs/dbraw/zinc/64/46/20/572644620.db2.gz	ICNRVWKWFPSJFY-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1	85060482	572644846	/nfs/dbraw/zinc/64/48/46/572644846.db2.gz	GHWGQBNWYBDGKP-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC)C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C	85060492	572644971	/nfs/dbraw/zinc/64/49/71/572644971.db2.gz	ICVUWNCKPJDLQH-NWDGAFQWSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC)C[N@@H+]1CCCC[C@@H]1CC[NH3+]	85060465	572645151	/nfs/dbraw/zinc/64/51/51/572645151.db2.gz	WUOWUGZQIMLNCW-GFCCVEGCSA-N	2	0	196.338	2.156	10	30		AEEERP
C=C(CC)C[NH+]1CCC(CC[NH3+])CC1	85060494	572645413	/nfs/dbraw/zinc/64/54/13/572645413.db2.gz	ZFINTKJAKYHYGG-UHFFFAOYSA-N	2	0	196.338	2.013	10	30		AEEERP
C=C(CC)C[NH2+]CCC[NH+]1CCCC1	85058507	572645596	/nfs/dbraw/zinc/64/55/96/572645596.db2.gz	WXUFALZKBPBEBF-UHFFFAOYSA-N	2	0	196.338	2.028	10	30		AEEERP
C=C(CC)C[N@@H+]1CCCC[C@H]1CC[NH3+]	85060468	572645651	/nfs/dbraw/zinc/64/56/51/572645651.db2.gz	WUOWUGZQIMLNCW-LBPRGKRZSA-N	2	0	196.338	2.156	10	30		AEEERP
C=C(CC)C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C	85060489	572645698	/nfs/dbraw/zinc/64/56/98/572645698.db2.gz	ICVUWNCKPJDLQH-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC)C[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+]	85060580	572645807	/nfs/dbraw/zinc/64/58/07/572645807.db2.gz	DFNLEZFOXGIBSF-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[NH2+][C@@](C)(C[NH3+])CCCCC	87648372	572645815	/nfs/dbraw/zinc/64/58/15/572645815.db2.gz	CTOMSNOJIFDEHH-LLVKDONJSA-N	2	0	184.327	2.060	10	30		AEEERP
C=C(CC)C[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+]	85060583	572646317	/nfs/dbraw/zinc/64/63/17/572646317.db2.gz	DFNLEZFOXGIBSF-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C[NH3+])C[NH+]1CCCCCCCC1	306438434	572662147	/nfs/dbraw/zinc/66/21/47/572662147.db2.gz	IHPBRKGWOVUCLI-UHFFFAOYSA-N	2	0	196.338	2.158	10	30		AEEERP
C=C(C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C	307638387	572668037	/nfs/dbraw/zinc/66/80/37/572668037.db2.gz	ZXSHYXIYGDLJLZ-SRVKXCTJSA-N	2	0	196.338	2.010	10	30		AEEERP
C=C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC)[C@H](C)C1	252709962	572673161	/nfs/dbraw/zinc/67/31/61/572673161.db2.gz	FIBOKGLNDPVHJY-TUAOUCFPSA-N	2	0	196.338	2.023	10	30		AEEERP
C=C[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC)[C@H](C)C1	252709961	572672368	/nfs/dbraw/zinc/67/23/68/572672368.db2.gz	FIBOKGLNDPVHJY-QJPTWQEYSA-N	2	0	196.338	2.023	10	30		AEEERP
C=C(C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1	253291030	572683671	/nfs/dbraw/zinc/68/36/71/572683671.db2.gz	QHANSGQBJKRVLM-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(C)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C	307638389	572688806	/nfs/dbraw/zinc/68/88/06/572688806.db2.gz	ZXSHYXIYGDLJLZ-UTUOFQBUSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CCC[N@@H+](C)CCCC[NH2+]CCC	388678338	572785523	/nfs/dbraw/zinc/78/55/23/572785523.db2.gz	IPPUTHPOAKDRRK-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=CCCCCC[NH+]1CCC([NH3+])CC1	236225172	572786078	/nfs/dbraw/zinc/78/60/78/572786078.db2.gz	FYLBYUBIUQYSPD-UHFFFAOYSA-N	2	0	196.338	2.156	10	30		AEEERP
C=CC[C@H]([NH2+]C)C(C)(C)[NH+]1CCCC1	85740723	572787717	/nfs/dbraw/zinc/78/77/17/572787717.db2.gz	KIAKBVRDSDAPLT-NSHDSACASA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1	85740519	572789475	/nfs/dbraw/zinc/78/94/75/572789475.db2.gz	YUTGXTVKDIHOJT-LLVKDONJSA-N	2	0	196.338	2.154	10	30		AEEERP
C=CCC[C@H]([NH3+])C(C)(C)[NH+]1CCCC1	85740523	572789770	/nfs/dbraw/zinc/78/97/70/572789770.db2.gz	YUTGXTVKDIHOJT-NSHDSACASA-N	2	0	196.338	2.154	10	30		AEEERP
C=CC[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCC1	85740715	572790116	/nfs/dbraw/zinc/79/01/16/572790116.db2.gz	KIAKBVRDSDAPLT-LLVKDONJSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[N@@H+](C)C[C@@](C)([NH3+])CCC	308128169	572791373	/nfs/dbraw/zinc/79/13/73/572791373.db2.gz	ANHRVMDZFDGOHC-NSHDSACASA-N	2	0	184.327	2.012	10	30		AEEERP
C=CCC[N@@H+](C)C[C@](C)([NH3+])CCC	308128168	572790668	/nfs/dbraw/zinc/79/06/68/572790668.db2.gz	ANHRVMDZFDGOHC-LLVKDONJSA-N	2	0	184.327	2.012	10	30		AEEERP
C=CC[C@H]([NH2+]C)C1([NH+](C)C)CCCC1	85752042	572798976	/nfs/dbraw/zinc/79/89/76/572798976.db2.gz	GSMAIWJJUXIKDF-NSHDSACASA-N	2	0	196.338	2.025	10	30		AEEERP
C=C(C)CC[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1	307708576	572798351	/nfs/dbraw/zinc/79/83/51/572798351.db2.gz	JFFIVPNZBXLHKN-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@@H]([NH2+]C)C1([NH+](C)C)CCCC1	85752045	572801384	/nfs/dbraw/zinc/80/13/84/572801384.db2.gz	GSMAIWJJUXIKDF-LLVKDONJSA-N	2	0	196.338	2.025	10	30		AEEERP
[NH3+]CCCCC/[NH+]=C/c1ccccc1	238556009	572805753	/nfs/dbraw/zinc/80/57/53/572805753.db2.gz	OBOPEXKTHYYWDD-SDNWHVSQSA-N	2	0	190.290	2.235	10	30		AEEERP
C=CCCCCC[N@H+]1CC[C@@H](C[NH3+])C1	236233631	572814322	/nfs/dbraw/zinc/81/43/22/572814322.db2.gz	DXQZDQUJDVXRRG-LBPRGKRZSA-N	2	0	196.338	2.013	10	30		AEEERP
C=CCC[C@@H]([NH3+])CC[NH+](CC)CC	85795393	572816037	/nfs/dbraw/zinc/81/60/37/572816037.db2.gz	YEJULRJJIJWBFP-LLVKDONJSA-N	2	0	184.327	2.012	10	30		AEEERP
C=CCCC[C@H]([NH3+])CC[NH+](CC)CC	85795477	572816422	/nfs/dbraw/zinc/81/64/22/572816422.db2.gz	OPOGMOSXWSRFKN-LBPRGKRZSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CCC[C@H]([NH3+])CC[NH+](CC)CC	85795397	572818854	/nfs/dbraw/zinc/81/88/54/572818854.db2.gz	YEJULRJJIJWBFP-NSHDSACASA-N	2	0	184.327	2.012	10	30		AEEERP
C=C(CC)C[C@@H]([NH3+])CC[NH+](CC)CC	85795403	572818923	/nfs/dbraw/zinc/81/89/23/572818923.db2.gz	MQBUAZBUJRVZGZ-LBPRGKRZSA-N	2	0	198.354	2.402	10	30		AEEERP
C=C[C@@H](C)[N@@H+](C)C1CCC([NH2+]C)CC1	85873439	572829392	/nfs/dbraw/zinc/82/93/92/572829392.db2.gz	KFGSDXWHLWBYSG-VOMCLLRMSA-N	2	0	196.338	2.023	10	30		AEEERP
C=C(C)C[N@@H+](C)C1CCC([NH2+]C)CC1	85873461	572829497	/nfs/dbraw/zinc/82/94/97/572829497.db2.gz	PGAGKKVBERNQQA-UHFFFAOYSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C[C@@H](C)[N@@H+](CC)C1CCC([NH3+])CC1	85870671	572830125	/nfs/dbraw/zinc/83/01/25/572830125.db2.gz	YMSHOQBGCCTYLY-VOMCLLRMSA-N	2	0	196.338	2.153	10	30		AEEERP
C=CC[N@@H+](CCC)C1CCC([NH3+])CC1	85871082	572830366	/nfs/dbraw/zinc/83/03/66/572830366.db2.gz	LTMABQYRLCVNRP-UHFFFAOYSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(C)C[N@@H+](CC)C1CCC([NH3+])CC1	85870709	572830577	/nfs/dbraw/zinc/83/05/77/572830577.db2.gz	YZGRVKLICWYPBL-UHFFFAOYSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(CC)C[N@H+](C)C1CCC([NH3+])CC1	85870123	572831378	/nfs/dbraw/zinc/83/13/78/572831378.db2.gz	OCKJMJORJXQMLC-UHFFFAOYSA-N	2	0	196.338	2.154	10	30		AEEERP
C=CCC[N@@H+](C)C1CCC([NH2+]C)CC1	85873441	572831889	/nfs/dbraw/zinc/83/18/89/572831889.db2.gz	DFDNXSCZGKXHKN-UHFFFAOYSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C[C@H](C)[N@@H+](CC)C1CCC([NH3+])CC1	85870667	572832143	/nfs/dbraw/zinc/83/21/43/572832143.db2.gz	YMSHOQBGCCTYLY-UNXYVOJBSA-N	2	0	196.338	2.153	10	30		AEEERP
C=CCC[N@@H+](CC)C1CCC([NH3+])CC1	85870681	572832150	/nfs/dbraw/zinc/83/21/50/572832150.db2.gz	LMAMQJDCZFZTHB-UHFFFAOYSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C[C@H](C)[N@@H+](C)C1CCC([NH2+]C)CC1	85873434	572832263	/nfs/dbraw/zinc/83/22/63/572832263.db2.gz	KFGSDXWHLWBYSG-UNXYVOJBSA-N	2	0	196.338	2.023	10	30		AEEERP
C=C(C)[C@H](CC[NH+](CC)CC)[NH2+]CC	86059096	572848165	/nfs/dbraw/zinc/84/81/65/572848165.db2.gz	XXQRXNPBHUIJLI-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=C(C)[C@@H](CC[NH+](CC)CC)[NH2+]CC	86059097	572849434	/nfs/dbraw/zinc/84/94/34/572849434.db2.gz	XXQRXNPBHUIJLI-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=C(C)C[C@H]([NH3+])CC[NH+](CC)CC	86062908	572851133	/nfs/dbraw/zinc/85/11/33/572851133.db2.gz	ABBUNPOHEZIABZ-LLVKDONJSA-N	2	0	184.327	2.012	10	30		AEEERP
C=C(C)C[C@@H](CC[NH+](CC)CC)[NH2+]C	86062914	572852351	/nfs/dbraw/zinc/85/23/51/572852351.db2.gz	XXFCVURNCXBXMM-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=C(C)C[C@H]([NH3+])C(C)(C)[NH+]1CCCC1	86062662	572852478	/nfs/dbraw/zinc/85/24/78/572852478.db2.gz	LWURSGNWGAEGAR-NSHDSACASA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(C)C[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1	86062665	572852575	/nfs/dbraw/zinc/85/25/75/572852575.db2.gz	LWURSGNWGAEGAR-LLVKDONJSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(C)C[N@@H+](CC)[C@@H](C)[C@@H](C)C[NH2+]C	86311360	572913688	/nfs/dbraw/zinc/91/36/88/572913688.db2.gz	XDRATFUGPIHWJL-RYUDHWBXSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CCC(C)(C)C[NH2+][C@H]1CC[C@@H]([NH3+])C1	310342955	572955936	/nfs/dbraw/zinc/95/59/36/572955936.db2.gz	ONLRXZXHFXGEQN-MNOVXSKESA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCC(C)(C)C[NH2+][C@@H]1CC[C@@H]([NH3+])C1	310342954	572956134	/nfs/dbraw/zinc/95/61/34/572956134.db2.gz	ONLRXZXHFXGEQN-GHMZBOCLSA-N	2	0	196.338	2.058	10	30		AEEERP
CC/C(C)=N/[C@H](C)CC(C)(C)[NH3+]	238180659	572969906	/nfs/dbraw/zinc/96/99/06/572969906.db2.gz	ACILXRDUAGWLAV-YXYQAXARSA-N	2	0	170.300	2.373	10	30		AEEERP
CC/C(C)=N/[C@@H](C)CC(C)(C)[NH3+]	238180608	572970580	/nfs/dbraw/zinc/97/05/80/572970580.db2.gz	ACILXRDUAGWLAV-KWINOFQJSA-N	2	0	170.300	2.373	10	30		AEEERP
C=C(C)C[N@@H+](CC)CC([NH3+])(CC)CC	86814309	572984414	/nfs/dbraw/zinc/98/44/14/572984414.db2.gz	VGCBHGGGNLHCSP-UHFFFAOYSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CCN(CC=C)CC([NH3+])(CC)CC	86814238	572984765	/nfs/dbraw/zinc/98/47/65/572984765.db2.gz	PFKMPCWQYAKEBM-UHFFFAOYSA-N	2	0	196.338	2.178	10	30		AEEERP
C=C(CC[NH2+]C)[C@H]1CCC[N@@H+]1C(C)C	258220227	573011116	/nfs/dbraw/zinc/01/11/16/573011116.db2.gz	OTWCHJHPXRLQIR-GFCCVEGCSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C(CC[NH2+]C)[C@@H]1CCC[N@@H+]1C(C)C	258220231	573013518	/nfs/dbraw/zinc/01/35/18/573013518.db2.gz	OTWCHJHPXRLQIR-LBPRGKRZSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C(C[NH3+])C[C@H]1CCCC[N@H+]1C(C)C	258225766	573015881	/nfs/dbraw/zinc/01/58/81/573015881.db2.gz	PDWBQKZNJVWBKK-GFCCVEGCSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(C[NH3+])C[C@@H]1CCCC[N@H+]1C(C)C	258225768	573017257	/nfs/dbraw/zinc/01/72/57/573017257.db2.gz	PDWBQKZNJVWBKK-LBPRGKRZSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(CC[NH3+])CC1CC[NH+](CC)CC1	258227937	573018207	/nfs/dbraw/zinc/01/82/07/573018207.db2.gz	PICAHQKJNFDGEH-UHFFFAOYSA-N	2	0	196.338	2.013	10	30		AEEERP
C=C(C)C[N@@H+](CC)CC[C@@H](CC)C[NH3+]	87998760	573038597	/nfs/dbraw/zinc/03/85/97/573038597.db2.gz	SCJXKNLGIVLFDT-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=C(C)C[N@@H+](CC)C[C@](C)(CC)C[NH3+]	128472473	573043399	/nfs/dbraw/zinc/04/33/99/573043399.db2.gz	PVAZONIQHPAFQT-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=C(C)C[N@@H+](CC)C[C@@](C)(CC)C[NH3+]	128472240	573047707	/nfs/dbraw/zinc/04/77/07/573047707.db2.gz	PVAZONIQHPAFQT-LBPRGKRZSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[N@@H+](C[C@](C)(CC)C[NH3+])C(C)C	128519439	573056160	/nfs/dbraw/zinc/05/61/60/573056160.db2.gz	LWIYQYSOZBSAOV-GFCCVEGCSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@@H+](C[C@](C)(CC)C[NH3+])C1CC1	128519926	573057107	/nfs/dbraw/zinc/05/71/07/573057107.db2.gz	XBLQZUYRVZTHIY-GFCCVEGCSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](C[C@@](C)(CC)C[NH3+])C(C)C	128519160	573058871	/nfs/dbraw/zinc/05/88/71/573058871.db2.gz	LWIYQYSOZBSAOV-LBPRGKRZSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@@H+](CCC)C[C@](C)(CC)C[NH3+]	128518924	573059027	/nfs/dbraw/zinc/05/90/27/573059027.db2.gz	IMBPKFZMVZGWLB-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=C(C)C[N@@H+](CC)CC[C@H]([NH3+])CCC	128548964	573066834	/nfs/dbraw/zinc/06/68/34/573066834.db2.gz	XYAZUPMPFZJOJV-GFCCVEGCSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CC[N@H+](CC)CCC[C@@H]1CCC[NH2+]1	308489715	573072983	/nfs/dbraw/zinc/07/29/83/573072983.db2.gz	BCADVAMDOHXNGS-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@@H+](CC[C@H]([NH3+])CCC)C(C)C	128680425	573084759	/nfs/dbraw/zinc/08/47/59/573084759.db2.gz	OSDYTRKPNPYKTB-GFCCVEGCSA-N	2	0	198.354	2.400	10	30		AEEERP
C=CC[N@H+]1CC[C@@H](CC[NH3+])CC1(C)C	259323910	573085174	/nfs/dbraw/zinc/08/51/74/573085174.db2.gz	IOKSXKYIIPIOLJ-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CCC)CC[C@H]([NH3+])CCC	128679932	573085709	/nfs/dbraw/zinc/08/57/09/573085709.db2.gz	BJZJVQDXSSVHCT-GFCCVEGCSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CC[N@@H+](CC)CC[C@H]([NH3+])CCC	128679429	573086937	/nfs/dbraw/zinc/08/69/37/573086937.db2.gz	WYRHSMFLHKTNJD-LLVKDONJSA-N	2	0	184.327	2.012	10	30		AEEERP
C=CC[N@@H+](CC[C@@H]([NH3+])CCC)C1CC1	128680677	573089162	/nfs/dbraw/zinc/08/91/62/573089162.db2.gz	OMMITTNSYHDKCP-NSHDSACASA-N	2	0	196.338	2.154	10	30		AEEERP
C=CC[N@@H+](CC[C@@H]([NH3+])CCC)C(C)C	128680189	573089359	/nfs/dbraw/zinc/08/93/59/573089359.db2.gz	OSDYTRKPNPYKTB-LBPRGKRZSA-N	2	0	198.354	2.400	10	30		AEEERP
C=CC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]CCC	131958798	573120267	/nfs/dbraw/zinc/12/02/67/573120267.db2.gz	DHBTZSNSKKRPMO-NWDGAFQWSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](C)CC(C)(C)C[NH2+]C(C)C	131956426	573121375	/nfs/dbraw/zinc/12/13/75/573121375.db2.gz	UAPHQNWNPYBCAV-UHFFFAOYSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]CCC	131959210	573122901	/nfs/dbraw/zinc/12/29/01/573122901.db2.gz	DHBTZSNSKKRPMO-RYUDHWBXSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](C)[C@H](C)[C@H](C)C[NH2+]CCC	131958560	573123140	/nfs/dbraw/zinc/12/31/40/573123140.db2.gz	DHBTZSNSKKRPMO-VXGBXAGGSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](C)[C@@H](C)[C@H](C)C[NH2+]CCC	131958986	573123393	/nfs/dbraw/zinc/12/33/93/573123393.db2.gz	DHBTZSNSKKRPMO-NEPJUHHUSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](C)CC(C)(C)C[NH2+]CCC	131958350	573125289	/nfs/dbraw/zinc/12/52/89/573125289.db2.gz	ZUBQBVRBYCFFFO-UHFFFAOYSA-N	2	0	198.354	2.130	10	30		AEEERP
C=CC[N@@H+](C)[C@H](C)CCC[NH2+]CCC	131976104	573127848	/nfs/dbraw/zinc/12/78/48/573127848.db2.gz	KOSHUEIVUOLNNY-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@@H+](C)CCCC[NH2+]CC(C)C	131969156	573129771	/nfs/dbraw/zinc/12/97/71/573129771.db2.gz	AYHVYCBXOQUHRL-UHFFFAOYSA-N	2	0	198.354	2.130	10	30		AEEERP
C=CC[N@H+](C)CCCC[NH2+]C(C)(C)C	131991832	573134515	/nfs/dbraw/zinc/13/45/15/573134515.db2.gz	SLFMRHKTAYBIMI-UHFFFAOYSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C	131981128	573135657	/nfs/dbraw/zinc/13/56/57/573135657.db2.gz	RPWBPTWKBZWUHT-NSHDSACASA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[N@@H+](C)CCCCC[NH2+]CCC	131982021	573135831	/nfs/dbraw/zinc/13/58/31/573135831.db2.gz	IJPIKOYOXJFJET-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=CC[N@@H+](C)C[C@H](C)C[NH2+]C(C)(C)C	131990970	573136273	/nfs/dbraw/zinc/13/62/73/573136273.db2.gz	OZHAWVGMQQPKNZ-LLVKDONJSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](C)CCCCCC[NH2+]CC	131996128	573136556	/nfs/dbraw/zinc/13/65/56/573136556.db2.gz	AFVSTLUMMGZBCZ-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=CC[N@H+](C)CCCCC[NH2+]C1CC1	131998210	573136693	/nfs/dbraw/zinc/13/66/93/573136693.db2.gz	IYIDJAAUPWLTKH-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@@H+](C)[C@@H](C)CCC[NH2+]C1CC1	132000515	573138590	/nfs/dbraw/zinc/13/85/90/573138590.db2.gz	GJVIKWLXZAZHRR-NSHDSACASA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@@H+](C)[C@H](C)[C@H](C)C[NH2+]C(C)C	131984639	573138103	/nfs/dbraw/zinc/13/81/03/573138103.db2.gz	DNMUCQCDDYOAJM-VXGBXAGGSA-N	2	0	198.354	2.127	10	30		AEEERP
C=CC[N@@H+](C)[C@@H](C)[C@H](C)C[NH2+]C(C)C	131985082	573138258	/nfs/dbraw/zinc/13/82/58/573138258.db2.gz	DNMUCQCDDYOAJM-NEPJUHHUSA-N	2	0	198.354	2.127	10	30		AEEERP
C=CC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C(C)C	131985282	573138387	/nfs/dbraw/zinc/13/83/87/573138387.db2.gz	DNMUCQCDDYOAJM-RYUDHWBXSA-N	2	0	198.354	2.127	10	30		AEEERP
C=C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1	715491290	573138356	/nfs/dbraw/zinc/13/83/56/573138356.db2.gz	PMMVQQXBFXBKBT-TUAOUCFPSA-N	2	0	196.338	2.023	10	30		AEEERP
C=CC[N@@H+](C)[C@H](C)CCC[NH2+]C1CC1	132000733	573138509	/nfs/dbraw/zinc/13/85/09/573138509.db2.gz	GJVIKWLXZAZHRR-LLVKDONJSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]C(C)C	131984842	573138572	/nfs/dbraw/zinc/13/85/72/573138572.db2.gz	DNMUCQCDDYOAJM-NWDGAFQWSA-N	2	0	198.354	2.127	10	30		AEEERP
C=CCCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C	308507886	573142521	/nfs/dbraw/zinc/14/25/21/573142521.db2.gz	QKZGKHMPGMSYOT-RYUDHWBXSA-N	2	0	196.338	2.154	10	30		AEEERP
C=CCCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C	308507882	573143158	/nfs/dbraw/zinc/14/31/58/573143158.db2.gz	QKZGKHMPGMSYOT-NEPJUHHUSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(C[NH3+])C[N@@H+]1C[C@H](CC)CC[C@H]1C	308502759	573143225	/nfs/dbraw/zinc/14/32/25/573143225.db2.gz	XHKWWXUGFFOROL-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C	308507884	573143285	/nfs/dbraw/zinc/14/32/85/573143285.db2.gz	QKZGKHMPGMSYOT-NWDGAFQWSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(C[NH3+])C[N@@H+]1C[C@H](CC)CC[C@@H]1C	308502755	573144401	/nfs/dbraw/zinc/14/44/01/573144401.db2.gz	XHKWWXUGFFOROL-NWDGAFQWSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C	308507888	573145248	/nfs/dbraw/zinc/14/52/48/573145248.db2.gz	QKZGKHMPGMSYOT-VXGBXAGGSA-N	2	0	196.338	2.154	10	30		AEEERP
C=CC[N@H+](CC(C)(C)CC[NH3+])C(C)C	308507365	573163386	/nfs/dbraw/zinc/16/33/86/573163386.db2.gz	ZQOLRZPPUXTOCR-UHFFFAOYSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CCCC[NH2+][C@@H](C)C[NH2+]CC(C)C	128990967	573169671	/nfs/dbraw/zinc/16/96/71/573169671.db2.gz	LOTIGWHICNNNRN-LBPRGKRZSA-N	2	0	198.354	2.176	10	30		AEEERP
C=CC[N@@H+](CC)CCCC[NH2+]CCC	132017803	573181914	/nfs/dbraw/zinc/18/19/14/573181914.db2.gz	OGOMSHFOIMVGCS-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=CC[N@H+](CC)CCC[NH2+]CC(C)C	132020559	573182122	/nfs/dbraw/zinc/18/21/22/573182122.db2.gz	QDENBCXZZJZOQH-UHFFFAOYSA-N	2	0	198.354	2.130	10	30		AEEERP
C=CC[N@@H+](CC)C[C@H](C)C[NH2+]C(C)C	132022388	573184735	/nfs/dbraw/zinc/18/47/35/573184735.db2.gz	CHJVXZVCYBARRR-GFCCVEGCSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@H+](CC)CCCC[NH2+]C1CC1	132023360	573185469	/nfs/dbraw/zinc/18/54/69/573185469.db2.gz	AHRBAZRHTSCNRS-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@@H+](CC)C[C@@H](C)C[NH2+]C(C)C	132022174	573186273	/nfs/dbraw/zinc/18/62/73/573186273.db2.gz	CHJVXZVCYBARRR-LBPRGKRZSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](CC)[C@H](C)CCC[NH2+]CC	132027407	573193608	/nfs/dbraw/zinc/19/36/08/573193608.db2.gz	SMTASKJXYZQLHJ-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@@H+](CCCC[NH2+]CC)C(C)C	132088923	573204081	/nfs/dbraw/zinc/20/40/81/573204081.db2.gz	IRBGMRIPAONJMS-UHFFFAOYSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@@H+](CCC)[C@H](C)CC[NH2+]CC	132079081	573207264	/nfs/dbraw/zinc/20/72/64/573207264.db2.gz	ANXXGTHTQASPTM-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@@H+](CCC[NH2+]CCC)C(C)C	132093802	573207532	/nfs/dbraw/zinc/20/75/32/573207532.db2.gz	OPRCJYCQCSQSSO-UHFFFAOYSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@H+](C(C)C)[C@H](C)CC[NH2+]CC	132111020	573213923	/nfs/dbraw/zinc/21/39/23/573213923.db2.gz	GEIRJCGKOCXPQV-GFCCVEGCSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[N@H+](C(C)C)[C@H](C)[C@@H](C)C[NH2+]C	132104091	573215702	/nfs/dbraw/zinc/21/57/02/573215702.db2.gz	SRTGJSPYLSGGBY-NWDGAFQWSA-N	2	0	198.354	2.127	10	30		AEEERP
C=CC[C@H](C)[NH2+]CCC[N@H+](C)C(C)C	308517522	573215822	/nfs/dbraw/zinc/21/58/22/573215822.db2.gz	NKKCQHBKXPJOCR-LBPRGKRZSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[N@@H+](CC(C)(C)C[NH2+]C)C(C)C	132102799	573216393	/nfs/dbraw/zinc/21/63/93/573216393.db2.gz	OFMDVPGOFIMCJW-UHFFFAOYSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@H+](C(C)C)[C@H](C)CCC[NH2+]C	132108434	573216568	/nfs/dbraw/zinc/21/65/68/573216568.db2.gz	CKBGXDLSQCVPSW-GFCCVEGCSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C	308517520	573218748	/nfs/dbraw/zinc/21/87/48/573218748.db2.gz	NKKCQHBKXPJOCR-GFCCVEGCSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CCCCC[NH2+]C[C@H](C[NH3+])C(C)C	308519044	573219619	/nfs/dbraw/zinc/21/96/19/573219619.db2.gz	WRZUMDFDNMINLP-LBPRGKRZSA-N	2	0	198.354	2.163	10	30		AEEERP
C=CCCC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1	308518659	573219767	/nfs/dbraw/zinc/21/97/67/573219767.db2.gz	GOTSCLZAVPYIHY-NWDGAFQWSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CCC[N@@H+](C)C[C@@H](C[NH3+])CC(C)C	308518641	573220189	/nfs/dbraw/zinc/22/01/89/573220189.db2.gz	GOILBFXHRDGOPI-GFCCVEGCSA-N	2	0	198.354	2.115	10	30		AEEERP
C=CCCC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1	308518658	573221248	/nfs/dbraw/zinc/22/12/48/573221248.db2.gz	GOTSCLZAVPYIHY-NEPJUHHUSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CCC[N@@H+](C)C[C@H](C[NH3+])CC(C)C	308518642	573222300	/nfs/dbraw/zinc/22/23/00/573222300.db2.gz	GOILBFXHRDGOPI-LBPRGKRZSA-N	2	0	198.354	2.115	10	30		AEEERP
C=CCCC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1	308518661	573223605	/nfs/dbraw/zinc/22/36/05/573223605.db2.gz	GOTSCLZAVPYIHY-VXGBXAGGSA-N	2	0	196.338	2.073	10	30		AEEERP
C=C(C[NH3+])C[C@H]1CCC[N@@H+](C(C)C)C1	258239807	573224485	/nfs/dbraw/zinc/22/44/85/573224485.db2.gz	PZAXQMPCSBOTHD-GFCCVEGCSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CCCCC[NH2+]C)C1CC1	132147128	573227327	/nfs/dbraw/zinc/22/73/27/573227327.db2.gz	YNZCXLVKHKFGNL-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCN([C@H](C)C[NH2+]CC)C(C)(C)C	132160677	573232242	/nfs/dbraw/zinc/23/22/42/573232242.db2.gz	CKLGIKKIVSCBMU-LLVKDONJSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[N@@H+]([C@@H](C)CCC[NH3+])C(C)(C)C	132157108	573232657	/nfs/dbraw/zinc/23/26/57/573232657.db2.gz	WPVLROHIGMIGIX-NSHDSACASA-N	2	0	198.354	2.400	10	30		AEEERP
C=CC[N@@H+]([C@H](C)CCC[NH3+])C(C)(C)C	132157322	573233411	/nfs/dbraw/zinc/23/34/11/573233411.db2.gz	WPVLROHIGMIGIX-LLVKDONJSA-N	2	0	198.354	2.400	10	30		AEEERP
CCCCCCCC[NH2+]C/C=C\C[NH3+]	308524582	573233895	/nfs/dbraw/zinc/23/38/95/573233895.db2.gz	AOVBVSPJYBTLAU-CLFYSBASSA-N	2	0	198.354	2.451	10	30		AEEERP
C=CCC[N@@H+](C)C[C@H]1CCC[C@@H]([NH3+])C1	308527928	573238501	/nfs/dbraw/zinc/23/85/01/573238501.db2.gz	JJHAKABDQGXIIQ-NWDGAFQWSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@@H+](C)CC1CCC([NH3+])CC1	308522245	573243976	/nfs/dbraw/zinc/24/39/76/573243976.db2.gz	IFRWOFBPEXNCGQ-UHFFFAOYSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@@H+](C)[C@H](C)CCC[NH2+]CC	308530515	573252322	/nfs/dbraw/zinc/25/23/22/573252322.db2.gz	KAYDHXRFSLPGQT-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CCC[N@H+](C)CCC[C@H]1CCC[NH2+]1	308532580	573266216	/nfs/dbraw/zinc/26/62/16/573266216.db2.gz	RZAZJDGTIAFXER-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCC[N@H+](C)CCC[C@@H]1CCC[NH2+]1	308532582	573266853	/nfs/dbraw/zinc/26/68/53/573266853.db2.gz	RZAZJDGTIAFXER-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCC[N@@H+](C)CCCCC[NH2+]CC	308533109	573267840	/nfs/dbraw/zinc/26/78/40/573267840.db2.gz	KRGWFBOOFOCELT-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=CCC[N@@H+](C)CCC1([NH3+])CCCC1	308548017	573303751	/nfs/dbraw/zinc/30/37/51/573303751.db2.gz	ORIAEZJRVVAKLB-UHFFFAOYSA-N	2	0	196.338	2.156	10	30		AEEERP
C=CCCC[N@H+]1CC[C@H]([NH2+]C)C[C@H]1C	308551308	573316941	/nfs/dbraw/zinc/31/69/41/573316941.db2.gz	QHLKSVKVCUKSRG-NEPJUHHUSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCC[N@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C	308551309	573316908	/nfs/dbraw/zinc/31/69/08/573316908.db2.gz	QHLKSVKVCUKSRG-NWDGAFQWSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCC[N@H+]1CC[C@@H]([NH2+]C)C[C@H]1C	308551560	573317479	/nfs/dbraw/zinc/31/74/79/573317479.db2.gz	QHLKSVKVCUKSRG-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCC[N@H+]1CC[C@H]([NH2+]C)C[C@@H]1C	308551310	573317626	/nfs/dbraw/zinc/31/76/26/573317626.db2.gz	QHLKSVKVCUKSRG-RYUDHWBXSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[N@@H+](C)CCCCCC[NH2+]C	308560397	573333186	/nfs/dbraw/zinc/33/31/86/573333186.db2.gz	VQHZRDNVZCBEBA-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=CCC[N@@H+](C)C[C@H]1CCCC[C@H]1[NH3+]	308560648	573333198	/nfs/dbraw/zinc/33/31/98/573333198.db2.gz	VTUSIKSUDXOCSE-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCC[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1	308560376	573335025	/nfs/dbraw/zinc/33/50/25/573335025.db2.gz	VPALNIQANJSVJO-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@@H+](C)CC(C)(C)C(C)(C)[NH3+]	308558130	573346719	/nfs/dbraw/zinc/34/67/19/573346719.db2.gz	ULGMCHKLDBDKFU-UHFFFAOYSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CCCC[NH2+][C@@H](C)CCC[NH+](C)C	308561630	573355177	/nfs/dbraw/zinc/35/51/77/573355177.db2.gz	FPPASSVATVVFQN-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=C(CC[NH3+])C[C@H]1CCC[N@H+]1C(C)C	258299708	573360415	/nfs/dbraw/zinc/36/04/15/573360415.db2.gz	URWVGHOITBNGLP-GFCCVEGCSA-N	2	0	196.338	2.154	10	30		AEEERP
C=C(C[NH2+]C)C[C@H]1CCCC[N@H+]1CC	258312317	573364898	/nfs/dbraw/zinc/36/48/98/573364898.db2.gz	VMZYFWLZBXJULW-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(C[NH2+]C)C[C@@H]1CCCC[N@H+]1CC	258312320	573367188	/nfs/dbraw/zinc/36/71/88/573367188.db2.gz	VMZYFWLZBXJULW-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCC[N@H+](C)CCC[NH2+]C(C)(C)C	308563688	573367546	/nfs/dbraw/zinc/36/75/46/573367546.db2.gz	XIKFEZOOOTXXSL-UHFFFAOYSA-N	2	0	198.354	2.273	10	30		AEEERP
C=C(CC[NH3+])[C@@H]1CCC[N@@H+](C(C)C)C1	258326065	573372218	/nfs/dbraw/zinc/37/22/18/573372218.db2.gz	WRCKJNHBXONYHM-GFCCVEGCSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@H+](CC)CC[C@H]([NH3+])C(C)(C)C	129631318	573376311	/nfs/dbraw/zinc/37/63/11/573376311.db2.gz	WUAKCSHJYJTZJV-NSHDSACASA-N	2	0	198.354	2.258	10	30		AEEERP
C=C(C)C[N@@H+](CC)CC(C)(C)CC[NH3+]	308495000	573389899	/nfs/dbraw/zinc/38/98/99/573389899.db2.gz	SMCNJECQPYDTMQ-UHFFFAOYSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[C@H](CC)[NH2+]Cc1cnc(C)[nH]1	308572614	573400540	/nfs/dbraw/zinc/40/05/40/573400540.db2.gz	CNFZESDOWPAFGL-JTQLQIEISA-N	2	0	193.294	2.162	10	30		AEEERP
CCCCCCC[NH2+][C@@H](C)CNC	133732691	573433918	/nfs/dbraw/zinc/43/39/18/573433918.db2.gz	FXHYYNPGWWNLNS-NSHDSACASA-N	2	0	186.343	2.154	10	30		AEEERP
C=C(CC[NH3+])[C@H]1CCCC[N@H+]1C(C)C	258360612	573455795	/nfs/dbraw/zinc/45/57/95/573455795.db2.gz	ZFNHKJYLWCKUHX-GFCCVEGCSA-N	2	0	196.338	2.154	10	30		AEEERP
C=CC[N@H+](C)CC[C@@H]1CCCC[C@@H]1[NH3+]	308596858	573478761	/nfs/dbraw/zinc/47/87/61/573478761.db2.gz	ZETPYTWZGVHGHD-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@H+](C)CC[C@H]1CCCC[C@@H]1[NH3+]	308596856	573480078	/nfs/dbraw/zinc/48/00/78/573480078.db2.gz	ZETPYTWZGVHGHD-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC[NH3+])C[C@H]1CCCC[N@H+]1CC	258049062	573504451	/nfs/dbraw/zinc/50/44/51/573504451.db2.gz	CYLZSLKMOAKVIR-GFCCVEGCSA-N	2	0	196.338	2.156	10	30		AEEERP
CCC[C@H]([NH2+]C)[C@H](/C=[NH+]/C)CC	238255409	573516210	/nfs/dbraw/zinc/51/62/10/573516210.db2.gz	IXOHANXIZCNAPO-CWIHFQEBSA-N	2	0	170.300	2.101	10	30		AEEERP
C=CC[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C	308605622	573519854	/nfs/dbraw/zinc/51/98/54/573519854.db2.gz	PPJNAXYUFXCEJR-NSHDSACASA-N	2	0	198.354	2.128	10	30		AEEERP
C(=[NH+]CCc1c[nH]c[nH+]1)c1ccccc1	308612752	573524346	/nfs/dbraw/zinc/52/43/46/573524346.db2.gz	HKSRRMSEBYPOCN-JYRVWZFOSA-N	2	0	199.257	2.071	10	30		AEEERP
C=C(CC[NH3+])C[C@@H]1CC[N@@H+](C(C)C)C1	258056625	573538914	/nfs/dbraw/zinc/53/89/14/573538914.db2.gz	DMBFVDFMINFSJK-LBPRGKRZSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC[NH3+])C[C@H]1CC[N@@H+](C(C)C)C1	258056620	573539313	/nfs/dbraw/zinc/53/93/13/573539313.db2.gz	DMBFVDFMINFSJK-GFCCVEGCSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCN(CC)C[C@@]1(CC)CCC[NH2+]1	215392172	573601038	/nfs/dbraw/zinc/60/10/38/573601038.db2.gz	IBDJOKPHOPESLV-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCCC[NH+]1CCC([NH2+]C)CC1	308650115	573629649	/nfs/dbraw/zinc/62/96/49/573629649.db2.gz	JQRVXEJFIIIHMX-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(C)C[NH2+][C@H](C)CCCC[NH+](C)C	308658117	573650032	/nfs/dbraw/zinc/65/00/32/573650032.db2.gz	OWANCGWATRQWMH-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@H+]1C[C@H](CC[NH3+])CCC1(C)C	259159410	573688516	/nfs/dbraw/zinc/68/85/16/573688516.db2.gz	AAMMUOPCJCDJJL-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@H+]1C[C@@H](CC[NH3+])CCC1(C)C	259159407	573689193	/nfs/dbraw/zinc/68/91/93/573689193.db2.gz	AAMMUOPCJCDJJL-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C[C@H](C)[NH2+][C@H](C)CC[N@H+](C)C(C)C	308679167	573696018	/nfs/dbraw/zinc/69/60/18/573696018.db2.gz	XDVZXQLJURIRSF-NWDGAFQWSA-N	2	0	198.354	2.269	10	30		AEEERP
C=C[C@H](C)[NH2+][C@@H](C)CCCC[NH+](C)C	308683518	573700793	/nfs/dbraw/zinc/70/07/93/573700793.db2.gz	YORRLRJFJJUSIC-RYUDHWBXSA-N	2	0	198.354	2.271	10	30		AEEERP
C=C[C@H](C)[NH2+][C@H](C)CCCC[NH+](C)C	308683517	573703172	/nfs/dbraw/zinc/70/31/72/573703172.db2.gz	YORRLRJFJJUSIC-NWDGAFQWSA-N	2	0	198.354	2.271	10	30		AEEERP
C=C(CC[NH2+]C)C[C@@H]1CCCC[N@@H+]1C	258111685	573734211	/nfs/dbraw/zinc/73/42/11/573734211.db2.gz	HUFFAPXGHZNYDP-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1	252964742	573763357	/nfs/dbraw/zinc/76/33/57/573763357.db2.gz	RFTSFEHPGDFNPD-SDDRHHMPSA-N	2	0	196.338	2.071	10	30		AEEERP
C=C(C)CC[N@@H+]1CCCC[C@H](C[NH3+])C1	308712192	573766692	/nfs/dbraw/zinc/76/66/92/573766692.db2.gz	ZIVAQWVGLCFIOB-GFCCVEGCSA-N	2	0	196.338	2.013	10	30		AEEERP
C=C(C)CC[N@@H+]1CCCC[C@@H](C[NH3+])C1	308712193	573770176	/nfs/dbraw/zinc/77/01/76/573770176.db2.gz	ZIVAQWVGLCFIOB-LBPRGKRZSA-N	2	0	196.338	2.013	10	30		AEEERP
C=CC[NH+](CC=C)CCC[C@H](C)C[NH3+]	131159520	573775876	/nfs/dbraw/zinc/77/58/76/573775876.db2.gz	QPLIWLGYFAIVRV-LBPRGKRZSA-N	2	0	196.338	2.035	10	30		AEEERP
C=CC[N@H+](CCC)CCC[C@H](C)C[NH3+]	131316710	573811124	/nfs/dbraw/zinc/81/11/24/573811124.db2.gz	PLCYVPVPJNWWLC-LBPRGKRZSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[N@H+](CCC)CCC[C@@H](C)C[NH3+]	131316515	573812750	/nfs/dbraw/zinc/81/27/50/573812750.db2.gz	PLCYVPVPJNWWLC-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[N@@H+](CCC[C@@H](C)C[NH3+])C(C)C	131316907	573812844	/nfs/dbraw/zinc/81/28/44/573812844.db2.gz	CXPNJMBTDYRRLT-GFCCVEGCSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[C@H](CC)[NH2+][C@@H](C)CC[NH+](C)C	308743321	573813343	/nfs/dbraw/zinc/81/33/43/573813343.db2.gz	PZWQTWGIUQAXQO-RYUDHWBXSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[C@@H](CC)[NH2+][C@H](C)CC[NH+](C)C	308743322	573813543	/nfs/dbraw/zinc/81/35/43/573813543.db2.gz	PZWQTWGIUQAXQO-VXGBXAGGSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[N@@H+](CCC[C@@H](C)C[NH3+])C1CC1	131317554	573817339	/nfs/dbraw/zinc/81/73/39/573817339.db2.gz	JAQLGWHQYQLGET-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@@H](CC)[NH2+][C@@H](C)CC[NH+](C)C	308743320	573815519	/nfs/dbraw/zinc/81/55/19/573815519.db2.gz	PZWQTWGIUQAXQO-NWDGAFQWSA-N	2	0	198.354	2.271	10	30		AEEERP
C=CC[N@@H+](CCC[C@H](C)C[NH3+])C1CC1	131317367	573820031	/nfs/dbraw/zinc/82/00/31/573820031.db2.gz	JAQLGWHQYQLGET-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCN(C)C[C@]1([NH3+])CCC[C@H](C)C1	131420319	573832831	/nfs/dbraw/zinc/83/28/31/573832831.db2.gz	LBFFBRBMSJPEDT-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@@H+](C)[C@@H](C)CC[NH2+]CCC	308448343	573836311	/nfs/dbraw/zinc/83/63/11/573836311.db2.gz	AIWYDIVCVBQNPA-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CCN(C)C[C@@]1([NH3+])CCC[C@@H](C)C1	131419745	573836816	/nfs/dbraw/zinc/83/68/16/573836816.db2.gz	LBFFBRBMSJPEDT-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC[NH3+])C1CC[NH+](C(C)C)CC1	258153932	573850205	/nfs/dbraw/zinc/85/02/05/573850205.db2.gz	KLWRBAFANUXANS-UHFFFAOYSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1	308897195	573856203	/nfs/dbraw/zinc/85/62/03/573856203.db2.gz	ZUZBRFOZNBLRGP-LLVKDONJSA-N	2	0	196.338	2.154	10	30		AEEERP
C=CCC[C@H](C)[NH+]1CCC(C)([NH3+])CC1	308897197	573856192	/nfs/dbraw/zinc/85/61/92/573856192.db2.gz	ZUZBRFOZNBLRGP-NSHDSACASA-N	2	0	196.338	2.154	10	30		AEEERP
C=CC[N@@H+](CC)C[C@@H](C[NH3+])CC(C)C	131500292	573862427	/nfs/dbraw/zinc/86/24/27/573862427.db2.gz	DCGYXMGCBKGRJD-GFCCVEGCSA-N	2	0	198.354	2.115	10	30		AEEERP
C=CC[N@@H+](CC)C[C@H]1CCCC[C@@H]1[NH3+]	131512429	573863819	/nfs/dbraw/zinc/86/38/19/573863819.db2.gz	VTYYBMIZGZPJME-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CC)C[C@H](C[NH3+])CC(C)C	131500078	573867478	/nfs/dbraw/zinc/86/74/78/573867478.db2.gz	DCGYXMGCBKGRJD-LBPRGKRZSA-N	2	0	198.354	2.115	10	30		AEEERP
C=CC[N@H+](CC)CCC1(C[NH3+])CCC1	131517779	573868294	/nfs/dbraw/zinc/86/82/94/573868294.db2.gz	LRACJTAWTCPTNO-UHFFFAOYSA-N	2	0	196.338	2.013	10	30		AEEERP
C=CC[N@@H+](C)C[C@@H](C)CCC[C@H](C)[NH3+]	131449567	573873440	/nfs/dbraw/zinc/87/34/40/573873440.db2.gz	ZNYMIZIAGNYFBA-RYUDHWBXSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[C@H]([NH3+])C[NH2+]CCCCC1CC1	716332244	573883017	/nfs/dbraw/zinc/88/30/17/573883017.db2.gz	FCWPOZFWVVJYJJ-LBPRGKRZSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[N@@H+](CCC1([NH3+])CCC1)C(C)C	131621152	573892244	/nfs/dbraw/zinc/89/22/44/573892244.db2.gz	ZXCMZAAYLCDYLZ-UHFFFAOYSA-N	2	0	196.338	2.154	10	30		AEEERP
C=CC[N@@H+](C[C@@H](C[NH3+])CCC)C(C)C	131618185	573892053	/nfs/dbraw/zinc/89/20/53/573892053.db2.gz	CNAZKLLWQJDMNM-GFCCVEGCSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@@H+](CCC[C@@H](C)[NH3+])C(C)C	131624908	573893152	/nfs/dbraw/zinc/89/31/52/573893152.db2.gz	PPNFTLQTOMZBGD-LLVKDONJSA-N	2	0	184.327	2.010	10	30		AEEERP
C=CC[C@H](C)[NH+]1CCC(C)([NH2+]C)CC1	715051193	573894027	/nfs/dbraw/zinc/89/40/27/573894027.db2.gz	AYKYOKIIXMNKFH-NSHDSACASA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCN(C[C@@H]([NH3+])CCC)C(C)C	131623383	573894083	/nfs/dbraw/zinc/89/40/83/573894083.db2.gz	DESNUAZVSAFEST-NSHDSACASA-N	2	0	184.327	2.010	10	30		AEEERP
C=CC[C@@H](C)[NH+]1CCC(C)([NH2+]C)CC1	715051192	573894622	/nfs/dbraw/zinc/89/46/22/573894622.db2.gz	AYKYOKIIXMNKFH-LLVKDONJSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C	715051965	573897206	/nfs/dbraw/zinc/89/72/06/573897206.db2.gz	GGEXNUCZMBEYEQ-VXGBXAGGSA-N	2	0	198.354	2.256	10	30		AEEERP
C=CC[C@H](C)[N@H+](CC)CC(C)(C)C[NH3+]	715052031	573897303	/nfs/dbraw/zinc/89/73/03/573897303.db2.gz	GQYHRLNTPAEZFH-NSHDSACASA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@H+](C[C@H]1CC[C@H]([NH3+])C1)C(C)C	131636519	573899487	/nfs/dbraw/zinc/89/94/87/573899487.db2.gz	NEVRUAPAUDROGN-RYUDHWBXSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CCN(CCC)C[C@H]([NH3+])CCC	131575090	573904158	/nfs/dbraw/zinc/90/41/58/573904158.db2.gz	ZNXQBYGFRDQGPC-LLVKDONJSA-N	2	0	184.327	2.012	10	30		AEEERP
C=CC[N@@H+](CCC)C[C@@H]1CCC[C@@H]1[NH3+]	131555010	573903606	/nfs/dbraw/zinc/90/36/06/573903606.db2.gz	CMTLFQRFRALOJS-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@@H](C)[N@H+](C)[C@H]1CCC[NH2+]CC1	715055734	573903729	/nfs/dbraw/zinc/90/37/29/573903729.db2.gz	YPBVIAOVXASPGX-NEPJUHHUSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@H+](CCC)CCC[C@H](C)[NH3+]	131576898	573903992	/nfs/dbraw/zinc/90/39/92/573903992.db2.gz	ASBXDEJZZWSXNB-NSHDSACASA-N	2	0	184.327	2.012	10	30		AEEERP
C=CC[N@@H+](CCC)C[C@@H](C[NH3+])CCC	131569271	573905010	/nfs/dbraw/zinc/90/50/10/573905010.db2.gz	URTFSXOJUPZSBH-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[N@@H+](CCC)C[C@H]1CCC[C@@H]1[NH3+]	131555234	573905207	/nfs/dbraw/zinc/90/52/07/573905207.db2.gz	CMTLFQRFRALOJS-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCN(CCC)C[C@H]([NH3+])CCCC	131558329	573905250	/nfs/dbraw/zinc/90/52/50/573905250.db2.gz	JXODXFMCCDFRIA-GFCCVEGCSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CCN(CCC)C[C@@](C)([NH3+])CCC	131548802	573905782	/nfs/dbraw/zinc/90/57/82/573905782.db2.gz	FBHDRVUTRUIOPN-LBPRGKRZSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CC[N@H+](CCC)CCCCCC[NH3+]	131548340	573905839	/nfs/dbraw/zinc/90/58/39/573905839.db2.gz	ZHVKVPBTYDVZOX-UHFFFAOYSA-N	2	0	198.354	2.404	10	30		AEEERP
C=CC[C@@H](C)[N@H+](C)[C@@H]1CCC[NH2+]CC1	715055744	573907699	/nfs/dbraw/zinc/90/76/99/573907699.db2.gz	YPBVIAOVXASPGX-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@@H+](C[C@H](C)CC[NH3+])C(C)(C)C	131707501	573908263	/nfs/dbraw/zinc/90/82/63/573908263.db2.gz	GFJGIWOSXFTCID-LLVKDONJSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[N@@H+](C[C@@H]([NH3+])C(C)C)C(C)(C)C	131713779	573909819	/nfs/dbraw/zinc/90/98/19/573909819.db2.gz	GCGQLBMIGVWAJC-LLVKDONJSA-N	2	0	198.354	2.256	10	30		AEEERP
C=CC[N@@H+](C[C@H]([NH3+])C(C)C)C(C)(C)C	131713966	573910667	/nfs/dbraw/zinc/91/06/67/573910667.db2.gz	GCGQLBMIGVWAJC-NSHDSACASA-N	2	0	198.354	2.256	10	30		AEEERP
C=CC[N@@H+](CC[C@@H](CC)C[NH3+])C1CC1	131644682	573912339	/nfs/dbraw/zinc/91/23/39/573912339.db2.gz	HBVBJUVJJHYZMU-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CCC[C@@H](C)[NH3+])C(C)(C)C	131724727	573925776	/nfs/dbraw/zinc/92/57/76/573925776.db2.gz	WGGUEZZAJLWAOB-LLVKDONJSA-N	2	0	198.354	2.400	10	30		AEEERP
C=CC[N@@H+](CC[C@H](C)C[NH3+])C(C)(C)C	131733589	573929100	/nfs/dbraw/zinc/92/91/00/573929100.db2.gz	ASRNIJWZUAUVCD-NSHDSACASA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH2+]CC	715070525	573932918	/nfs/dbraw/zinc/93/29/18/573932918.db2.gz	RVXDVKFVEUNIIU-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[C@H](C)[N@H+]1CCC[C@H]1C[NH2+]CC	715070524	573934802	/nfs/dbraw/zinc/93/48/02/573934802.db2.gz	RVXDVKFVEUNIIU-RYUDHWBXSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCC[N@@H+](C)[C@H]1CCC[NH2+]CC1	231669978	487078246	/nfs/dbraw/zinc/07/82/46/487078246.db2.gz	SOUGMYSQNHWGFC-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1	231669975	487078379	/nfs/dbraw/zinc/07/83/79/487078379.db2.gz	SOUGMYSQNHWGFC-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1	666992984	487352204	/nfs/dbraw/zinc/35/22/04/487352204.db2.gz	QFNTUZHDCZNLBE-NEPJUHHUSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1	666992987	487352321	/nfs/dbraw/zinc/35/23/21/487352321.db2.gz	QFNTUZHDCZNLBE-VXGBXAGGSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CCC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1	666992985	487352338	/nfs/dbraw/zinc/35/23/38/487352338.db2.gz	QFNTUZHDCZNLBE-NWDGAFQWSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CCC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1	666992986	487352519	/nfs/dbraw/zinc/35/25/19/487352519.db2.gz	QFNTUZHDCZNLBE-RYUDHWBXSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1	158187933	582575802	/nfs/dbraw/zinc/57/58/02/582575802.db2.gz	XGJZVDJIZXFELF-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[C@@H](CC)[NH2+][C@H]1C[C@H](C[NH3+])C1	902488734	582608044	/nfs/dbraw/zinc/60/80/44/582608044.db2.gz	NDIZTWTUFJEBPE-IJLUTSLNSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCC[C@H](CC)[NH2+][C@H]1C[C@H](C[NH3+])C1	902488735	582608399	/nfs/dbraw/zinc/60/83/99/582608399.db2.gz	NDIZTWTUFJEBPE-SRVKXCTJSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCCC(C)(C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1	904379034	582637226	/nfs/dbraw/zinc/63/72/26/582637226.db2.gz	PTPASNPBOSMOKU-PHIMTYICSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCCC[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1	904473364	582639224	/nfs/dbraw/zinc/63/92/24/582639224.db2.gz	QENHTEULYJYIPK-TXEJJXNPSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCC[N@H+](C)CCCCCC[NH3+]	220259147	582669689	/nfs/dbraw/zinc/66/96/89/582669689.db2.gz	NBBWWRQTUHUDOJ-UHFFFAOYSA-N	2	0	198.354	2.404	10	30		AEEERP
C=CCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1	158188374	582696353	/nfs/dbraw/zinc/69/63/53/582696353.db2.gz	XGJZVDJIZXFELF-RYUDHWBXSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1	158188234	582696421	/nfs/dbraw/zinc/69/64/21/582696421.db2.gz	XGJZVDJIZXFELF-NEPJUHHUSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1	158188082	582696431	/nfs/dbraw/zinc/69/64/31/582696431.db2.gz	XGJZVDJIZXFELF-NWDGAFQWSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCCCC[C@@H](C)[NH2+]CCC[NH3+]	817938636	582998796	/nfs/dbraw/zinc/99/87/96/582998796.db2.gz	OSXSLFNOLCYCJQ-GFCCVEGCSA-N	2	0	198.354	2.450	10	30		AEEERP
C=CCCCCC[C@H](C)[NH2+]CCC[NH3+]	817938637	582999107	/nfs/dbraw/zinc/99/91/07/582999107.db2.gz	OSXSLFNOLCYCJQ-LBPRGKRZSA-N	2	0	198.354	2.450	10	30		AEEERP
CCCCCCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1	300044076	583509448	/nfs/dbraw/zinc/50/94/48/583509448.db2.gz	FCSAYSXILRJVBM-NWDGAFQWSA-N	2	0	198.354	2.236	10	30		AEEERP
C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C)C1	126778470	490038241	/nfs/dbraw/zinc/03/82/41/490038241.db2.gz	MMQMDAVLYZWAKX-NEPJUHHUSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1	126777722	490038391	/nfs/dbraw/zinc/03/83/91/490038391.db2.gz	MMQMDAVLYZWAKX-NWDGAFQWSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C)C1	126778014	490038661	/nfs/dbraw/zinc/03/86/61/490038661.db2.gz	MMQMDAVLYZWAKX-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[C@H](C)[NH2+][C@H]1CCCN(C)C1	126778224	490038767	/nfs/dbraw/zinc/03/87/67/490038767.db2.gz	MMQMDAVLYZWAKX-RYUDHWBXSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[C@@H](C)[NH2+]CCCC[NH+](C)C	126803681	490039172	/nfs/dbraw/zinc/03/91/72/490039172.db2.gz	IIDVMNZUSSBBAG-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CCC[C@H](C)[NH2+]CCCC[NH+](C)C	126803426	490039295	/nfs/dbraw/zinc/03/92/95/490039295.db2.gz	IIDVMNZUSSBBAG-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CCCC[N@@H+](C)C[C@@H]([NH3+])CC(C)C	220264351	491040564	/nfs/dbraw/zinc/04/05/64/491040564.db2.gz	LMRQDSWQIQSYND-LBPRGKRZSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CCCC[N@@H+](C)C[C@H]([NH3+])CC(C)C	220264424	491040580	/nfs/dbraw/zinc/04/05/80/491040580.db2.gz	LMRQDSWQIQSYND-GFCCVEGCSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CCC[N@H+](C)CCCCCC[NH3+]	388785660	697995209	/nfs/dbraw/zinc/99/52/09/697995209.db2.gz	KPBNXWNINJDEKH-UHFFFAOYSA-N	2	0	184.327	2.013	10	30		AEEERP
C=C(C)C[N@H+](CC)CC[C@H]1CCC[NH2+]1	42171918	166119146	/nfs/dbraw/zinc/11/91/46/166119146.db2.gz	WDKFVXQNZYORLA-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(C)C[N@@H+](CC)CCC[NH2+]CCC	52423292	166119282	/nfs/dbraw/zinc/11/92/82/166119282.db2.gz	VXFWECQQGUGAMU-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=C(C)C[N@H+](CC)CCCCCC[NH3+]	20074166	166119933	/nfs/dbraw/zinc/11/99/33/166119933.db2.gz	LZBZJIHZMQNMGH-UHFFFAOYSA-N	2	0	198.354	2.404	10	30		AEEERP
C=C(C)C[N@H+](CC)CC[C@@H]1CCC[NH2+]1	42171916	166120742	/nfs/dbraw/zinc/12/07/42/166120742.db2.gz	WDKFVXQNZYORLA-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(C)C[NH2+]CCCC[N@@H+](C)C(C)C	51753640	166122124	/nfs/dbraw/zinc/12/21/24/166122124.db2.gz	UFZFJIHHFNDWNS-UHFFFAOYSA-N	2	0	198.354	2.273	10	30		AEEERP
C=C(C)C[NH2+]C1CC[NH+](CCC)CC1	49899971	166123526	/nfs/dbraw/zinc/12/35/26/166123526.db2.gz	DRMGLHRBFOVGJV-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[NH+](CC=C)C[C@@](C)(CC)C[NH3+]	51216327	166176301	/nfs/dbraw/zinc/17/63/01/166176301.db2.gz	XONBOOSHZHIHLU-LBPRGKRZSA-N	2	0	196.338	2.035	10	30		AEEERP
C=CC[NH+](CC=C)C[C@](C)(CC)C[NH3+]	51216328	166177427	/nfs/dbraw/zinc/17/74/27/166177427.db2.gz	XONBOOSHZHIHLU-GFCCVEGCSA-N	2	0	196.338	2.035	10	30		AEEERP
C=CC[NH2+]CCC[N@H+]1CCCC[C@@H]1C	49900101	166188021	/nfs/dbraw/zinc/18/80/21/166188021.db2.gz	UGZLKDIBBNAUFS-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[NH2+]CCC[N@H+]1CCCC[C@H]1C	49900100	166188575	/nfs/dbraw/zinc/18/85/75/166188575.db2.gz	UGZLKDIBBNAUFS-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[NH2+][C@@H](C)CCC[NH+](CC)CC	49773636	166190878	/nfs/dbraw/zinc/19/08/78/166190878.db2.gz	MASHYGUBQHSDGW-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[NH2+][C@H](C)CCC[NH+](CC)CC	49773635	166192255	/nfs/dbraw/zinc/19/22/55/166192255.db2.gz	MASHYGUBQHSDGW-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=C[C@@H](C)[N@@H+](CCC)C1CC[NH2+]CC1	52143815	166212982	/nfs/dbraw/zinc/21/29/82/166212982.db2.gz	VVAFPMLADZHMEF-LLVKDONJSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C[C@@H](C)[N@H+]1CCC[NH2+][C@@](C)(CC)C1	232033126	344670013	/nfs/dbraw/zinc/67/00/13/344670013.db2.gz	QCFURWSMGLWNQZ-NEPJUHHUSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@H](C)[NH3+]	643539892	353001648	/nfs/dbraw/zinc/00/16/48/353001648.db2.gz	PRJCWVHZMXRJBD-SRVKXCTJSA-N	2	0	198.354	2.447	10	30		AEEERP
C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[NH3+]	530207977	325665456	/nfs/dbraw/zinc/66/54/56/325665456.db2.gz	FMLYAHPMGLNGEY-GHMZBOCLSA-N	2	0	196.338	2.058	10	30		AEEERP
C=C(C)C[N@@H+]1CCC[NH2+][C@@](C)(CC)C1	167690657	344311471	/nfs/dbraw/zinc/31/14/71/344311471.db2.gz	PWXNRCCABDAGNP-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(C)C[N@@H+]1CCC[NH2+][C@](C)(CC)C1	167690570	344311485	/nfs/dbraw/zinc/31/14/85/344311485.db2.gz	PWXNRCCABDAGNP-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@H+]1C[C@](C)(CC)[NH2+]CC[C@@H]1C	224410772	344469218	/nfs/dbraw/zinc/46/92/18/344469218.db2.gz	YANJODHIMVAMGX-RYUDHWBXSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@H+]1C[C@@](C)(CC)[NH2+]CC[C@@H]1C	224410727	344469296	/nfs/dbraw/zinc/46/92/96/344469296.db2.gz	YANJODHIMVAMGX-NWDGAFQWSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C[C@@H](C)[N@H+]1CCC[NH2+][C@](C)(CC)C1	252953365	344921906	/nfs/dbraw/zinc/92/19/06/344921906.db2.gz	QCFURWSMGLWNQZ-VXGBXAGGSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C(CC)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1	306537072	345410060	/nfs/dbraw/zinc/41/00/60/345410060.db2.gz	LBBPIWIASAGBRP-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1	306537066	345410109	/nfs/dbraw/zinc/41/01/09/345410109.db2.gz	LBBPIWIASAGBRP-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[NH+](C)CCCC[N@@H+](C)CC=C	605316800	346970178	/nfs/dbraw/zinc/97/01/78/346970178.db2.gz	BLAOFLAEKXISRQ-UHFFFAOYSA-N	2	0	196.338	2.002	10	30		AEEERP
C=CCC[N@@H+](C)CCC[NH+](CC)CC	606897433	346985427	/nfs/dbraw/zinc/98/54/27/346985427.db2.gz	HDVAAFBHTVJYFK-UHFFFAOYSA-N	2	0	198.354	2.226	10	30		AEEERP
C=C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1	623445609	347257529	/nfs/dbraw/zinc/25/75/29/347257529.db2.gz	YFUQCFNSZWDNSU-MNOVXSKESA-N	2	0	196.338	2.023	10	30		AEEERP
C=C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1	623445610	347257681	/nfs/dbraw/zinc/25/76/81/347257681.db2.gz	YFUQCFNSZWDNSU-QWRGUYRKSA-N	2	0	196.338	2.023	10	30		AEEERP
C=C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1	623445608	347257699	/nfs/dbraw/zinc/25/76/99/347257699.db2.gz	YFUQCFNSZWDNSU-GHMZBOCLSA-N	2	0	196.338	2.023	10	30		AEEERP
C=C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1	623445611	347257919	/nfs/dbraw/zinc/25/79/19/347257919.db2.gz	YFUQCFNSZWDNSU-WDEREUQCSA-N	2	0	196.338	2.023	10	30		AEEERP
C=CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1	623564044	347258746	/nfs/dbraw/zinc/25/87/46/347258746.db2.gz	QRKRVKAGNYYPKZ-LLVKDONJSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1	623564045	347258773	/nfs/dbraw/zinc/25/87/73/347258773.db2.gz	QRKRVKAGNYYPKZ-NSHDSACASA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1CC	629390270	347341989	/nfs/dbraw/zinc/34/19/89/347341989.db2.gz	CJMVRVZFGNYOAM-SDDRHHMPSA-N	2	0	196.338	2.071	10	30		AEEERP
C=CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1CC	629390269	347342030	/nfs/dbraw/zinc/34/20/30/347342030.db2.gz	CJMVRVZFGNYOAM-GRYCIOLGSA-N	2	0	196.338	2.071	10	30		AEEERP
C=CCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+][C@H]1C	629406985	347343124	/nfs/dbraw/zinc/34/31/24/347343124.db2.gz	SQPFTIPFCSRFLG-QJPTWQEYSA-N	2	0	196.338	2.071	10	30		AEEERP
C=CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+][C@H]1C	629406986	347343400	/nfs/dbraw/zinc/34/34/00/347343400.db2.gz	SQPFTIPFCSRFLG-SDDRHHMPSA-N	2	0	196.338	2.071	10	30		AEEERP
C=CC(C)(C)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+]	629509703	347344885	/nfs/dbraw/zinc/34/48/85/347344885.db2.gz	IMTXWAWOAMEMMI-MNOVXSKESA-N	2	0	198.354	2.304	10	30		AEEERP
C=CC(C)(C)CC[NH2+][C@@H](C)C[C@H](C)[NH3+]	629509704	347345167	/nfs/dbraw/zinc/34/51/67/347345167.db2.gz	IMTXWAWOAMEMMI-QWRGUYRKSA-N	2	0	198.354	2.304	10	30		AEEERP
C=CC(C)(C)CC[NH2+][C@H](C)C[C@H](C)[NH3+]	629509705	347345263	/nfs/dbraw/zinc/34/52/63/347345263.db2.gz	IMTXWAWOAMEMMI-WDEREUQCSA-N	2	0	198.354	2.304	10	30		AEEERP
C=CC(C)(C)CC[NH2+][C@H](C)C[C@@H](C)[NH3+]	629509702	347345308	/nfs/dbraw/zinc/34/53/08/347345308.db2.gz	IMTXWAWOAMEMMI-GHMZBOCLSA-N	2	0	198.354	2.304	10	30		AEEERP
C=CC(C)(C)CC[NH2+][C@H]1CCC[C@H]1[NH3+]	530207979	352186981	/nfs/dbraw/zinc/18/69/81/352186981.db2.gz	FMLYAHPMGLNGEY-MNOVXSKESA-N	2	0	196.338	2.058	10	30		AEEERP
C=CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1[NH3+]	530207982	352187249	/nfs/dbraw/zinc/18/72/49/352187249.db2.gz	FMLYAHPMGLNGEY-QWRGUYRKSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1[NH3+]	530207984	352187259	/nfs/dbraw/zinc/18/72/59/352187259.db2.gz	FMLYAHPMGLNGEY-WDEREUQCSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCCCC[C@@H](C)[NH2+]CCC[NH3+]	643496798	352970022	/nfs/dbraw/zinc/97/00/22/352970022.db2.gz	MYFICROWIKAFIJ-LLVKDONJSA-N	2	0	184.327	2.060	10	30		AEEERP
C=CCC[C@@H](CCC)[NH2+]CCC[NH3+]	643496673	352970058	/nfs/dbraw/zinc/97/00/58/352970058.db2.gz	UYCVMBOSUDTFLZ-LLVKDONJSA-N	2	0	184.327	2.060	10	30		AEEERP
C=CCC[C@H](CCC)[NH2+]CCC[NH3+]	643496674	352970470	/nfs/dbraw/zinc/97/04/70/352970470.db2.gz	UYCVMBOSUDTFLZ-NSHDSACASA-N	2	0	184.327	2.060	10	30		AEEERP
C=CCCCC[C@H](C)[NH2+]CCC[NH3+]	643496799	352970586	/nfs/dbraw/zinc/97/05/86/352970586.db2.gz	MYFICROWIKAFIJ-NSHDSACASA-N	2	0	184.327	2.060	10	30		AEEERP
C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H](C)[NH3+]	643539864	353000852	/nfs/dbraw/zinc/00/08/52/353000852.db2.gz	HEDAGZNMYNYURB-MXWKQRLJSA-N	2	0	184.327	2.057	10	30		AEEERP
C=CCC[C@H](CC)[NH2+][C@H](C)[C@H](C)[NH3+]	643539862	353000858	/nfs/dbraw/zinc/00/08/58/353000858.db2.gz	HEDAGZNMYNYURB-AXFHLTTASA-N	2	0	184.327	2.057	10	30		AEEERP
C=CCC[C@H](CC)[NH2+][C@@H](C)[C@H](C)[NH3+]	643539863	353000986	/nfs/dbraw/zinc/00/09/86/353000986.db2.gz	HEDAGZNMYNYURB-DCAQKATOSA-N	2	0	184.327	2.057	10	30		AEEERP
C=CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1CC1	643539891	353001359	/nfs/dbraw/zinc/00/13/59/353001359.db2.gz	NTYBXPUQGGZWEO-UMNHJUIQSA-N	2	0	196.338	2.057	10	30		AEEERP
C=CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1CC1	643539888	353001440	/nfs/dbraw/zinc/00/14/40/353001440.db2.gz	NTYBXPUQGGZWEO-FOGDFJRCSA-N	2	0	196.338	2.057	10	30		AEEERP
C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@@H](C)[NH3+]	643539895	353001520	/nfs/dbraw/zinc/00/15/20/353001520.db2.gz	PRJCWVHZMXRJBD-WOPDTQHZSA-N	2	0	198.354	2.447	10	30		AEEERP
C=CCC[C@H](CCC)[NH2+][C@H](C)[C@H](C)[NH3+]	643539893	353001622	/nfs/dbraw/zinc/00/16/22/353001622.db2.gz	PRJCWVHZMXRJBD-TUAOUCFPSA-N	2	0	198.354	2.447	10	30		AEEERP
C=CCC[C@H](CCC)[NH2+][C@H](C)[C@@H](C)[NH3+]	643539894	353001630	/nfs/dbraw/zinc/00/16/30/353001630.db2.gz	PRJCWVHZMXRJBD-UTUOFQBUSA-N	2	0	198.354	2.447	10	30		AEEERP
C=CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1CC1	643539890	353001746	/nfs/dbraw/zinc/00/17/46/353001746.db2.gz	NTYBXPUQGGZWEO-SCVCMEIPSA-N	2	0	196.338	2.057	10	30		AEEERP
C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@H](C)[NH3+]	643539865	353001758	/nfs/dbraw/zinc/00/17/58/353001758.db2.gz	HEDAGZNMYNYURB-VWYCJHECSA-N	2	0	184.327	2.057	10	30		AEEERP
C=CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1CC1	643539889	353001796	/nfs/dbraw/zinc/00/17/96/353001796.db2.gz	NTYBXPUQGGZWEO-NHCYSSNCSA-N	2	0	196.338	2.057	10	30		AEEERP
C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+]	656200136	409424433	/nfs/dbraw/zinc/42/44/33/409424433.db2.gz	KAGAHIDMPJKBTB-NEPJUHHUSA-N	2	0	198.354	2.448	10	30		AEEERP
C=CCCCCC[NH2+][C@@H](C)C[C@H](C)[NH3+]	656200142	409424679	/nfs/dbraw/zinc/42/46/79/409424679.db2.gz	KAGAHIDMPJKBTB-RYUDHWBXSA-N	2	0	198.354	2.448	10	30		AEEERP
C=CCCCCC[NH2+][C@H](C)C[C@@H](C)[NH3+]	656200143	409424810	/nfs/dbraw/zinc/42/48/10/409424810.db2.gz	KAGAHIDMPJKBTB-VXGBXAGGSA-N	2	0	198.354	2.448	10	30		AEEERP
C=CCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+]	656201307	409424853	/nfs/dbraw/zinc/42/48/53/409424853.db2.gz	VFVAOAUSLAYTJH-RYUDHWBXSA-N	2	0	196.338	2.202	10	30		AEEERP
C=CCCCCC[NH2+][C@H](C)C[C@H](C)[NH3+]	656200141	409424888	/nfs/dbraw/zinc/42/48/88/409424888.db2.gz	KAGAHIDMPJKBTB-NWDGAFQWSA-N	2	0	198.354	2.448	10	30		AEEERP
C=CCCCCC[NH2+][C@H]1CCC[C@H]1[NH3+]	656201305	409425267	/nfs/dbraw/zinc/42/52/67/409425267.db2.gz	VFVAOAUSLAYTJH-NEPJUHHUSA-N	2	0	196.338	2.202	10	30		AEEERP
C=CCCCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+]	656201306	409425367	/nfs/dbraw/zinc/42/53/67/409425367.db2.gz	VFVAOAUSLAYTJH-NWDGAFQWSA-N	2	0	196.338	2.202	10	30		AEEERP
C=CCCCCC[NH2+][C@@H]1CCC[C@H]1[NH3+]	656201308	409425484	/nfs/dbraw/zinc/42/54/84/409425484.db2.gz	VFVAOAUSLAYTJH-VXGBXAGGSA-N	2	0	196.338	2.202	10	30		AEEERP
C=CCCCC[NH2+][C@@H]1CCC[NH2+]CC1	308477733	409722942	/nfs/dbraw/zinc/72/29/42/409722942.db2.gz	LAHUIWPKANTQDX-GFCCVEGCSA-N	2	0	196.338	2.074	10	30		AEEERP
C=CCCCC[NH2+][C@H]1CCC[NH2+]CC1	308477734	409723475	/nfs/dbraw/zinc/72/34/75/409723475.db2.gz	LAHUIWPKANTQDX-LBPRGKRZSA-N	2	0	196.338	2.074	10	30		AEEERP
C=CCC[NH2+]C(C)(C)CN1CCCC1	308636325	409744690	/nfs/dbraw/zinc/74/46/90/409744690.db2.gz	RAXCXYCYHLOSNC-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=C(C)C[NH2+]C(C)(C)CN1CCCC1	308636322	409744956	/nfs/dbraw/zinc/74/49/56/409744956.db2.gz	QZDWESKCLUSQFV-UHFFFAOYSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCC[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C	663504123	409787500	/nfs/dbraw/zinc/78/75/00/409787500.db2.gz	WKMPJGRQLWPKBM-NWDGAFQWSA-N	2	0	198.354	2.304	10	30		AEEERP
C=CCC[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C	663504129	409789097	/nfs/dbraw/zinc/78/90/97/409789097.db2.gz	WKMPJGRQLWPKBM-VXGBXAGGSA-N	2	0	198.354	2.304	10	30		AEEERP
C=CC(C)(C)C[NH2+]C1CCC([NH3+])CC1	384924325	409918613	/nfs/dbraw/zinc/91/86/13/409918613.db2.gz	FZFPZLAOMQGTGL-UHFFFAOYSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCCCC[NH2+]C1CCC([NH3+])CC1	389342842	409972085	/nfs/dbraw/zinc/97/20/85/409972085.db2.gz	YZGIXKUGWIAFEV-UHFFFAOYSA-N	2	0	196.338	2.202	10	30		AEEERP
C=CCC[N@@H+](CC)[C@H]1CCC[NH2+]CC1	389986165	409977523	/nfs/dbraw/zinc/97/75/23/409977523.db2.gz	MENWDZMSMOKWPX-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1	389986164	409977828	/nfs/dbraw/zinc/97/78/28/409977828.db2.gz	MENWDZMSMOKWPX-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[C@@H](CC)[NH2+][C@H]1CCC[NH2+]CC1	393765594	409990385	/nfs/dbraw/zinc/99/03/85/409990385.db2.gz	POHSPQLPBUQNHT-NEPJUHHUSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CC[C@H](CC)[NH2+][C@H]1CCC[NH2+]CC1	393765596	409990802	/nfs/dbraw/zinc/99/08/02/409990802.db2.gz	POHSPQLPBUQNHT-RYUDHWBXSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CC[C@H](CC)[NH2+][C@@H]1CCC[NH2+]CC1	393765595	409990979	/nfs/dbraw/zinc/99/09/79/409990979.db2.gz	POHSPQLPBUQNHT-NWDGAFQWSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CC[C@H](CC)[NH2+]C1CCC([NH3+])CC1	393809333	409992440	/nfs/dbraw/zinc/99/24/40/409992440.db2.gz	RPKNPDQSZNRUHM-CXQJBGSLSA-N	2	0	196.338	2.201	10	30		AEEERP
C=CC[C@@H](CC)[NH2+][C@@H]1CCC[NH2+]CC1	393765598	409992533	/nfs/dbraw/zinc/99/25/33/409992533.db2.gz	POHSPQLPBUQNHT-VXGBXAGGSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CC[C@@H](CC)[NH2+]C1CCC([NH3+])CC1	393809334	409993231	/nfs/dbraw/zinc/99/32/31/409993231.db2.gz	RPKNPDQSZNRUHM-MOENNCHZSA-N	2	0	196.338	2.201	10	30		AEEERP
C=CCCC[C@H](C)[NH2+]C1CC[NH2+]CC1	398085244	410019635	/nfs/dbraw/zinc/01/96/35/410019635.db2.gz	UJGOWLCPDQCVOY-NSHDSACASA-N	2	0	196.338	2.073	10	30		AEEERP
C=CCCC[C@@H](C)[NH2+]C1CC[NH2+]CC1	398085242	410021922	/nfs/dbraw/zinc/02/19/22/410021922.db2.gz	UJGOWLCPDQCVOY-LLVKDONJSA-N	2	0	196.338	2.073	10	30		AEEERP
C=CCC[C@H](C)[NH2+]CCC1(C[NH3+])CC1	650714111	410275268	/nfs/dbraw/zinc/27/52/68/410275268.db2.gz	RPAMSRNWNWGUQJ-NSHDSACASA-N	2	0	196.338	2.060	10	30		AEEERP
C=CCC[C@@H](C)[NH2+]CCC1(C[NH3+])CC1	650714110	410275381	/nfs/dbraw/zinc/27/53/81/410275381.db2.gz	RPAMSRNWNWGUQJ-LLVKDONJSA-N	2	0	196.338	2.060	10	30		AEEERP
C=CC[NH2+]CCCCCC[N+](C)(C)C	6068079	717103455	/nfs/dbraw/zinc/10/34/55/717103455.db2.gz	YXEBKWHSNZQQPQ-UHFFFAOYSA-N	2	0	199.362	2.029	10	30		AEEERP
C=CC[N@@H+](CC)CCCCC[NH2+]CC	132023147	573184659	/nfs/dbraw/zinc/18/46/59/573184659.db2.gz	ZWWDCJZSANGBNR-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=CC[N@@H+](CCC)[C@@H](C)[C@@H](C)C[NH2+]C	132071887	573199774	/nfs/dbraw/zinc/19/97/74/573199774.db2.gz	LSBSLLCQMMUGQX-RYUDHWBXSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](CCC)CCC[NH2+]CCC	132062013	573199924	/nfs/dbraw/zinc/19/99/24/573199924.db2.gz	UNNNBUSDNBAKKX-UHFFFAOYSA-N	2	0	198.354	2.274	10	30		AEEERP
C=CC[N@@H+](CCC)CC(C)(C)C[NH2+]C	132071242	573202989	/nfs/dbraw/zinc/20/29/89/573202989.db2.gz	NGTPIUQZKGFBDW-UHFFFAOYSA-N	2	0	198.354	2.130	10	30		AEEERP
C=CC[N@@H+](C(C)C)[C@@H](C)CCC[NH3+]	132091635	573205466	/nfs/dbraw/zinc/20/54/66/573205466.db2.gz	WOIHVMCGGMDVLA-NSHDSACASA-N	2	0	184.327	2.010	10	30		AEEERP
C=CC[N@@H+](CCC)[C@H](C)CCC[NH2+]C	132076733	573205853	/nfs/dbraw/zinc/20/58/53/573205853.db2.gz	VIKBOHGSGCJNKY-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@@H+](CCC)[C@H](C)[C@@H](C)C[NH2+]C	132072074	573205931	/nfs/dbraw/zinc/20/59/31/573205931.db2.gz	LSBSLLCQMMUGQX-NWDGAFQWSA-N	2	0	198.354	2.128	10	30		AEEERP
C=CC[N@@H+](CCC)[C@@H](C)CCC[NH2+]C	132076495	573208599	/nfs/dbraw/zinc/20/85/99/573208599.db2.gz	VIKBOHGSGCJNKY-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CCCC[N@@H+](C)C[C@H]([NH3+])CC1CC1	308520464	573225063	/nfs/dbraw/zinc/22/50/63/573225063.db2.gz	HKGLOJMSIXJYQG-GFCCVEGCSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@H+](C1CC1)[C@@H](C)CC[NH2+]CC	132146588	573225313	/nfs/dbraw/zinc/22/53/13/573225313.db2.gz	NHSARPAWJAPXAH-NSHDSACASA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCC[N@@H+](C)C[C@H](C)C[NH2+]CCC	308519464	573225791	/nfs/dbraw/zinc/22/57/91/573225791.db2.gz	GZQPBUCLARTVSP-GFCCVEGCSA-N	2	0	198.354	2.130	10	30		AEEERP
C=CC[N@H+](C1CC1)[C@@H](C)CCC[NH2+]C	132143457	573230202	/nfs/dbraw/zinc/23/02/02/573230202.db2.gz	GXKMRQBSYGJIOI-NSHDSACASA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@@H+]([C@@H](C)CC[NH3+])C(C)(C)C	132162876	573239641	/nfs/dbraw/zinc/23/96/41/573239641.db2.gz	SUUGAWKBAIMUTB-JTQLQIEISA-N	2	0	184.327	2.010	10	30		AEEERP
C=CC[N@@H+]([C@H](C)CC[NH3+])C(C)(C)C	132163072	573239723	/nfs/dbraw/zinc/23/97/23/573239723.db2.gz	SUUGAWKBAIMUTB-SNVBAGLBSA-N	2	0	184.327	2.010	10	30		AEEERP
C=CC[N@H+]([C@H]1CC[C@@H]1C[NH3+])C(C)(C)C	132172055	573239914	/nfs/dbraw/zinc/23/99/14/573239914.db2.gz	KOMXSCTXXFIRIL-MNOVXSKESA-N	2	0	196.338	2.010	10	30		AEEERP
C=CCC[N@@H+](C)[C@@H](C)CCC[NH2+]CC	308530516	573251574	/nfs/dbraw/zinc/25/15/74/573251574.db2.gz	KAYDHXRFSLPGQT-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=C(C[NH2+]C)[C@H]1CCCC[N@@H+]1C(C)C	258284027	573291994	/nfs/dbraw/zinc/29/19/94/573291994.db2.gz	SUHSSVBOXKFHAO-GFCCVEGCSA-N	2	0	196.338	2.025	10	30		AEEERP
C=C(C[NH2+]C)[C@@H]1CCCC[N@@H+]1C(C)C	258284029	573295989	/nfs/dbraw/zinc/29/59/89/573295989.db2.gz	SUHSSVBOXKFHAO-LBPRGKRZSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCC[NH2+][C@H]1CCC[N@@H+](C)CC1	308546041	573314897	/nfs/dbraw/zinc/31/48/97/573314897.db2.gz	NYWWQSMNZRFDGL-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1[NH3+]	308560647	573334278	/nfs/dbraw/zinc/33/42/78/573334278.db2.gz	VTUSIKSUDXOCSE-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@@H+](C)C[C@]1(C)CCC[C@@H]1[NH3+]	308559750	573334867	/nfs/dbraw/zinc/33/48/67/573334867.db2.gz	VDZDVVKVPHPECT-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCC[N@@H+](C)C[C@@]1(C)CCC[C@H]1[NH3+]	308559751	573337968	/nfs/dbraw/zinc/33/79/68/573337968.db2.gz	VDZDVVKVPHPECT-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC)C[N@@H+]1CC[C@H]([NH2+]C)C[C@@H]1C	313501014	573357441	/nfs/dbraw/zinc/35/74/41/573357441.db2.gz	QJJIPWVLFOZFSQ-RYUDHWBXSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCCC[NH2+][C@H](C)CCC[NH+](C)C	308561629	573357733	/nfs/dbraw/zinc/35/77/33/573357733.db2.gz	FPPASSVATVVFQN-GFCCVEGCSA-N	2	0	198.354	2.273	10	30		AEEERP
C=C(CC[NH3+])[C@H]1CCC[N@@H+](C(C)C)C1	258326069	573370934	/nfs/dbraw/zinc/37/09/34/573370934.db2.gz	WRCKJNHBXONYHM-LBPRGKRZSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@H](C)[C@H]([NH3+])C[NH+]1CCCCC1	715793206	573396630	/nfs/dbraw/zinc/39/66/30/573396630.db2.gz	GZUJEBBCMREYPU-NWDGAFQWSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@H](C)[C@@H]([NH3+])C[NH+]1CCCCC1	715793219	573398991	/nfs/dbraw/zinc/39/89/91/573398991.db2.gz	GZUJEBBCMREYPU-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[C@@H](C)[C@H]([NH3+])C[NH+]1CCCCC1	715793224	573399503	/nfs/dbraw/zinc/39/95/03/573399503.db2.gz	GZUJEBBCMREYPU-VXGBXAGGSA-N	2	0	196.338	2.012	10	30		AEEERP
C=C(CC[NH2+]C)C[C@@H]1CCC[N@H+]1CC	258357429	573468906	/nfs/dbraw/zinc/46/89/06/573468906.db2.gz	YZMFPKDQIOXBDN-LBPRGKRZSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@@H+](CC[C@H]([NH3+])C1CC1)C(C)C	130137571	573485686	/nfs/dbraw/zinc/48/56/86/573485686.db2.gz	KUFUEBVYXYFFCQ-LBPRGKRZSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[N@H+]1CCC[C@@H](CC[NH3+])C1(C)C	259470427	573485926	/nfs/dbraw/zinc/48/59/26/573485926.db2.gz	QQSFZYUWTXJXNZ-NSHDSACASA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@H+]1CCC[C@H](CC[NH3+])C1(C)C	259470425	573486457	/nfs/dbraw/zinc/48/64/57/573486457.db2.gz	QQSFZYUWTXJXNZ-LLVKDONJSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CCCCCCC[NH2+]CC(C)(C)[NH3+]	308643630	573622924	/nfs/dbraw/zinc/62/29/24/573622924.db2.gz	FPZSAIAPFWUSBP-UHFFFAOYSA-N	2	0	198.354	2.450	10	30		AEEERP
C=C[C@@H](C)[NH2+][C@@H](C)CC[N@H+](C)C(C)C	308679166	573697197	/nfs/dbraw/zinc/69/71/97/573697197.db2.gz	XDVZXQLJURIRSF-NEPJUHHUSA-N	2	0	198.354	2.269	10	30		AEEERP
C=C[C@@H](C)[NH2+][C@H](C)CC[N@H+](C)C(C)C	308679169	573697347	/nfs/dbraw/zinc/69/73/47/573697347.db2.gz	XDVZXQLJURIRSF-VXGBXAGGSA-N	2	0	198.354	2.269	10	30		AEEERP
C=C(CC[NH2+]C)C[C@H]1CCCC[N@@H+]1C	258111680	573732321	/nfs/dbraw/zinc/73/23/21/573732321.db2.gz	HUFFAPXGHZNYDP-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[NH+](CC=C)CCC[C@@H](C)C[NH3+]	131159743	573773455	/nfs/dbraw/zinc/77/34/55/573773455.db2.gz	QPLIWLGYFAIVRV-GFCCVEGCSA-N	2	0	196.338	2.035	10	30		AEEERP
C=C(C)C[N@H+](CC)CCC[C@@H](C)C[NH3+]	131171321	573773639	/nfs/dbraw/zinc/77/36/39/573773639.db2.gz	TYLRCTXEWOSRFH-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=C(CC[NH3+])C[C@@H]1CCC[N@@H+](CC)C1	258138694	573807313	/nfs/dbraw/zinc/80/73/13/573807313.db2.gz	JOGDMTBKPXXMNS-LBPRGKRZSA-N	2	0	196.338	2.013	10	30		AEEERP
C=C(CC[NH3+])C[C@H]1CCC[N@@H+](CC)C1	258138693	573807351	/nfs/dbraw/zinc/80/73/51/573807351.db2.gz	JOGDMTBKPXXMNS-GFCCVEGCSA-N	2	0	196.338	2.013	10	30		AEEERP
C=CCN(C)C[C@]1([NH3+])CCC[C@@H](C)C1	131420123	573835764	/nfs/dbraw/zinc/83/57/64/573835764.db2.gz	LBFFBRBMSJPEDT-NEPJUHHUSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@H+](CC)CCCC(C)(C)[NH3+]	131489998	573865537	/nfs/dbraw/zinc/86/55/37/573865537.db2.gz	HTXXXHHGQJFHSB-UHFFFAOYSA-N	2	0	184.327	2.012	10	30		AEEERP
C=CC[N@@H+](CC)C[C@@H]1CCCC[C@@H]1[NH3+]	131512192	573866741	/nfs/dbraw/zinc/86/67/41/573866741.db2.gz	VTYYBMIZGZPJME-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CC)C[C@H]1CCC[C@H]([NH3+])C1	131511524	573867156	/nfs/dbraw/zinc/86/71/56/573867156.db2.gz	FUDSAZWAYCFPHX-RYUDHWBXSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](C)CCC[C@@H](CC)CC[NH3+]	131460857	573878543	/nfs/dbraw/zinc/87/85/43/573878543.db2.gz	HZCSSWYDMFSQAS-GFCCVEGCSA-N	2	0	198.354	2.259	10	30		AEEERP
C=CC[N@H+](C)CCC[C@H]1CCCC[NH2+]1	131474197	573884231	/nfs/dbraw/zinc/88/42/31/573884231.db2.gz	NFLBZDONWAVHSZ-GFCCVEGCSA-N	2	0	196.338	2.027	10	30		AEEERP
C=CC[N@H+](C[C@](C)([NH3+])C1CC1)C(C)C	131615717	573891598	/nfs/dbraw/zinc/89/15/98/573891598.db2.gz	YKVZOAWBGNEYPV-LBPRGKRZSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1	715052931	573898900	/nfs/dbraw/zinc/89/89/00/573898900.db2.gz	JMKSKBZRFGDIJM-QWRGUYRKSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)C	131636304	573899086	/nfs/dbraw/zinc/89/90/86/573899086.db2.gz	NEVRUAPAUDROGN-NEPJUHHUSA-N	2	0	196.338	2.010	10	30		AEEERP
C=CC[N@@H+](CC)CC(C)(C)C(C)(C)[NH3+]	131530657	573901389	/nfs/dbraw/zinc/90/13/89/573901389.db2.gz	STJHMFJIODRKHN-UHFFFAOYSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CC[C@H](C)N1CCCC[C@H]1C[NH2+]C	715055785	573902805	/nfs/dbraw/zinc/90/28/05/573902805.db2.gz	YWXZQKSWEXCHML-RYUDHWBXSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCN(CCC)C[C@@](C)([NH3+])CC	131556808	573902885	/nfs/dbraw/zinc/90/28/85/573902885.db2.gz	DLHGWTQPHUEJJH-NSHDSACASA-N	2	0	184.327	2.012	10	30		AEEERP
C=CC[C@H](C)N1CCCC[C@@H]1C[NH2+]C	715055784	573902897	/nfs/dbraw/zinc/90/28/97/573902897.db2.gz	YWXZQKSWEXCHML-NWDGAFQWSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@H+](CCC)CCC(C)(C)[NH3+]	131555473	573902974	/nfs/dbraw/zinc/90/29/74/573902974.db2.gz	DRDGVYGPINUTMI-UHFFFAOYSA-N	2	0	184.327	2.012	10	30		AEEERP
C=CC[N@H+](CCC)CCC[NH2+]C(C)C	131542863	573903025	/nfs/dbraw/zinc/90/30/25/573903025.db2.gz	FQDUQAFFWARNNI-UHFFFAOYSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[C@H](C)[N@H+](C)[C@H]1CCC[NH2+]CC1	715055742	573903034	/nfs/dbraw/zinc/90/30/34/573903034.db2.gz	YPBVIAOVXASPGX-RYUDHWBXSA-N	2	0	196.338	2.025	10	30		AEEERP
C=CCN(CCC)C[C@@H]([NH3+])CCCC	131558128	573903083	/nfs/dbraw/zinc/90/30/83/573903083.db2.gz	JXODXFMCCDFRIA-LBPRGKRZSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CCN(CCC)CC[NH2+][C@@H](C)CC	131547472	573903326	/nfs/dbraw/zinc/90/33/26/573903326.db2.gz	GEGWXVGYVUZNIA-LBPRGKRZSA-N	2	0	198.354	2.273	10	30		AEEERP
C=CC[N@@H+](C[C@](C)([NH3+])CC)C(C)(C)C	131706389	573907199	/nfs/dbraw/zinc/90/71/99/573907199.db2.gz	NOWNTEODZOFJKG-GFCCVEGCSA-N	2	0	198.354	2.400	10	30		AEEERP
C=CC[N@H+](CC1(C[NH3+])CC1)C(C)(C)C	131712040	573907429	/nfs/dbraw/zinc/90/74/29/573907429.db2.gz	YNOZPKGVXLJTAB-UHFFFAOYSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CC[C@H](C)[NH2+]CC)C1CC1	131652232	573914134	/nfs/dbraw/zinc/91/41/34/573914134.db2.gz	KQMSGHIUHSKKRO-NSHDSACASA-N	2	0	196.338	2.025	10	30		AEEERP
C=CC[N@@H+](CC[C@@H](C)C[NH3+])C(C)(C)C	131733759	573926557	/nfs/dbraw/zinc/92/65/57/573926557.db2.gz	ASRNIJWZUAUVCD-LLVKDONJSA-N	2	0	198.354	2.258	10	30		AEEERP
C=CCCC[N@@H+](C)C[C@@H]([NH3+])CC1CC1	308464632	573926726	/nfs/dbraw/zinc/92/67/26/573926726.db2.gz	HKGLOJMSIXJYQG-LBPRGKRZSA-N	2	0	196.338	2.012	10	30		AEEERP
C=CC[N@@H+](CC[C@H](C)[NH3+])C(C)(C)C	131723573	573926815	/nfs/dbraw/zinc/92/68/15/573926815.db2.gz	UKCQNYDVOYQEBZ-JTQLQIEISA-N	2	0	184.327	2.010	10	30		AEEERP
C=CC[N@@H+](CCCCC[NH3+])C(C)(C)C	131729742	573926921	/nfs/dbraw/zinc/92/69/21/573926921.db2.gz	WNQSDUPEHSPGBN-UHFFFAOYSA-N	2	0	198.354	2.402	10	30		AEEERP
C=CC[N@@H+](CC[C@@H](C)[NH3+])C(C)(C)C	131723777	573926948	/nfs/dbraw/zinc/92/69/48/573926948.db2.gz	UKCQNYDVOYQEBZ-SNVBAGLBSA-N	2	0	184.327	2.010	10	30		AEEERP
C=CC[N@@H+](CCC[C@H](C)[NH3+])C(C)(C)C	131724498	573927039	/nfs/dbraw/zinc/92/70/39/573927039.db2.gz	WGGUEZZAJLWAOB-NSHDSACASA-N	2	0	198.354	2.400	10	30		AEEERP
CCCCCCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1	232952384	630825299	/nfs/dbraw/zinc/82/52/99/630825299.db2.gz	FCSAYSXILRJVBM-NEPJUHHUSA-N	2	0	198.354	2.236	10	30		AEEERP
CCCCCCC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1	232952876	630825579	/nfs/dbraw/zinc/82/55/79/630825579.db2.gz	FCSAYSXILRJVBM-RYUDHWBXSA-N	2	0	198.354	2.236	10	30		AEEERP
C=CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1	925710997	631049487	/nfs/dbraw/zinc/04/94/87/631049487.db2.gz	YQGFZOIMVHPVBK-GHMZBOCLSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1	925711009	631049924	/nfs/dbraw/zinc/04/99/24/631049924.db2.gz	YQGFZOIMVHPVBK-WDEREUQCSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1	925711006	631050423	/nfs/dbraw/zinc/05/04/23/631050423.db2.gz	YQGFZOIMVHPVBK-QWRGUYRKSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1	925711001	631050548	/nfs/dbraw/zinc/05/05/48/631050548.db2.gz	YQGFZOIMVHPVBK-MNOVXSKESA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1	925883041	631056295	/nfs/dbraw/zinc/05/62/95/631056295.db2.gz	RZJKYPZDNVGKOV-UTUOFQBUSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1	925883040	631058038	/nfs/dbraw/zinc/05/80/38/631058038.db2.gz	RZJKYPZDNVGKOV-TUAOUCFPSA-N	2	0	196.338	2.058	10	30		AEEERP
C=CCCCCC[N@@H+]1CCC[NH2+]CC1	232571622	1224234463	/nfs/dbraw/zinc/23/44/63/1224234463.db2.gz	KYLBEAUKZWAXJM-UHFFFAOYSA-N	2	0	196.338	2.028	10	30		AEEERP