smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c(O)c1[O-])-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000005160392	204196231	/nfs/dbraw/zinc/19/62/31/204196231.db2.gz	QCOIAAVYXNEUDX-CQSZACIVSA-N	-1	3	371.389	2.266	10	10		FECEHM
CCCn1cc(CN2CCCN(C(=O)c3cccc(O)c3[O-])CC2)cn1	ZINC000193026134	548377941	/nfs/dbraw/zinc/37/79/41/548377941.db2.gz	PCYUWAMHQSFCNH-UHFFFAOYSA-N	-1	3	358.442	2.052	10	10		FECEHM
C[C@H]1CN([C@@H](CNC(=O)c2cccc(O)c2[O-])c2cccs2)CCO1	ZINC000193127015	672713376	/nfs/dbraw/zinc/71/33/76/672713376.db2.gz	RPCUGRCLTGZIRH-JSGCOSHPSA-N	-1	3	362.451	2.351	10	10		FECEHM
COC(=O)CN(Cc1c(C)nn(C)c1OC)Cc1cc(Cl)ccc1[O-]	ZINC000093277110	542922932	/nfs/dbraw/zinc/92/29/32/542922932.db2.gz	HIZKPPKWISGQPA-UHFFFAOYSA-N	-1	3	367.833	2.271	10	10		FECEHM
COc1cc(Cl)cc(CN2CCCN(Cc3cnn(C)c3)CC2)c1[O-]	ZINC000184690534	547866140	/nfs/dbraw/zinc/86/61/40/547866140.db2.gz	FNOBFPVXHHKPMI-UHFFFAOYSA-N	-1	3	364.877	2.496	10	10		FECEHM
Cc1nnc([C@@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)[nH]1	ZINC000180104011	547051919	/nfs/dbraw/zinc/05/19/19/547051919.db2.gz	ZBVLDVKGTSTHFF-ZDUSSCGKSA-N	-1	3	353.220	2.155	10	10		FECEHM
Cc1nc([C@@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)n[nH]1	ZINC000180104011	547051926	/nfs/dbraw/zinc/05/19/26/547051926.db2.gz	ZBVLDVKGTSTHFF-ZDUSSCGKSA-N	-1	3	353.220	2.155	10	10		FECEHM
COc1cc(Br)cc(CN2CC[C@@H](N3CCOCC3)C2)c1[O-]	ZINC000120971103	543687363	/nfs/dbraw/zinc/68/73/63/543687363.db2.gz	OENIIUHUGZYMMQ-CQSZACIVSA-N	-1	3	371.275	2.070	10	10		FECEHM
COc1cc(Cl)cc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1[O-]	ZINC000184690869	547865995	/nfs/dbraw/zinc/86/59/95/547865995.db2.gz	GGRWZXMKZJUSJG-OAHLLOKOSA-N	-1	3	351.834	2.460	10	10		FECEHM
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(O)c1[O-]	ZINC000193126945	548380511	/nfs/dbraw/zinc/38/05/11/548380511.db2.gz	VNPZEXZJVCVUCS-CQSZACIVSA-N	-1	3	362.451	2.305	10	10		FECEHM
C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1N1CCOCC1	ZINC000245689386	548975683	/nfs/dbraw/zinc/97/56/83/548975683.db2.gz	BDBUCASWGVFBKW-SWLSCSKDSA-N	-1	3	355.276	2.307	10	10		FECEHM
N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SC(N3CCCCC3)=NN21	ZINC000041084696	540012361	/nfs/dbraw/zinc/01/23/61/540012361.db2.gz	LJJGIZYSBYAPCP-OVPUCLHSSA-N	-1	3	355.423	2.455	10	10		FECEHM
CC(=O)c1cc(F)cc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1[O-]	ZINC000175648803	546326956	/nfs/dbraw/zinc/32/69/56/546326956.db2.gz	JISOAAAEKJETNQ-NSHDSACASA-N	-1	3	362.405	2.304	10	10		FECEHM
Cc1ccc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c([O-])c1O	ZINC000182447678	547495539	/nfs/dbraw/zinc/49/55/39/547495539.db2.gz	AKNYLCGFXGIRGF-UHFFFAOYSA-N	-1	3	372.469	2.316	10	10		FECEHM
C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1N1CCOCC1	ZINC000180227787	547069596	/nfs/dbraw/zinc/06/95/96/547069596.db2.gz	ZUZWZCFKMIGOEE-NHYWBVRUSA-N	-1	3	355.822	2.106	10	10		FECEHM
CCn1c(C)nnc1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000171938170	546230291	/nfs/dbraw/zinc/23/02/91/546230291.db2.gz	XTGZTWQEGIATHL-UHFFFAOYSA-N	-1	3	352.822	2.141	10	10		FECEHM
Cc1ccc([C@H](CNC(=O)c2cccc(O)c2[O-])N2CCOCC2)s1	ZINC000193126979	548380117	/nfs/dbraw/zinc/38/01/17/548380117.db2.gz	UUBKHVASDLHJGV-AWEZNQCLSA-N	-1	3	362.451	2.271	10	10		FECEHM
Cc1nnc([C@H]2CN(Cc3cc(Br)cc(C)c3[O-])CCO2)[nH]1	ZINC000180612173	547141417	/nfs/dbraw/zinc/14/14/17/547141417.db2.gz	LLEDYMNEEOWTOQ-CYBMUJFWSA-N	-1	3	367.247	2.463	10	10		FECEHM
CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C[C@H](C)O	ZINC000245785110	672824550	/nfs/dbraw/zinc/82/45/50/672824550.db2.gz	VCWIZOIQUVYJIY-SMDDNHRTSA-N	-1	3	357.838	2.231	10	10		FECEHM
CC(=O)c1cc(F)cc(CN2CCCN(Cc3cnn(C)c3)CC2)c1[O-]	ZINC000175650430	546328108	/nfs/dbraw/zinc/32/81/08/546328108.db2.gz	HPSKIPYPXSWUIN-UHFFFAOYSA-N	-1	3	360.433	2.175	10	10		FECEHM
CC(=O)c1cc(F)cc(CN2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c1[O-]	ZINC000192001965	548356381	/nfs/dbraw/zinc/35/63/81/548356381.db2.gz	VFLDCNBTMVWZEF-HNNXBMFYSA-N	-1	3	352.406	2.105	10	10		FECEHM
CC(=O)c1cc(F)cc(CN2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c1[O-]	ZINC000192001965	548356385	/nfs/dbraw/zinc/35/63/85/548356385.db2.gz	VFLDCNBTMVWZEF-HNNXBMFYSA-N	-1	3	352.406	2.105	10	10		FECEHM
CC(=O)c1cc(F)cc(CN2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c1[O-]	ZINC000192001973	548355561	/nfs/dbraw/zinc/35/55/61/548355561.db2.gz	VFLDCNBTMVWZEF-OAHLLOKOSA-N	-1	3	352.406	2.105	10	10		FECEHM
CC(=O)c1cc(F)cc(CN2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c1[O-]	ZINC000192001973	548355566	/nfs/dbraw/zinc/35/55/66/548355566.db2.gz	VFLDCNBTMVWZEF-OAHLLOKOSA-N	-1	3	352.406	2.105	10	10		FECEHM
[O-]c1ccc(Br)cc1CN1CCO[C@H](Cn2cccn2)C1	ZINC000122145054	543703727	/nfs/dbraw/zinc/70/37/27/543703727.db2.gz	RZBKIXSCVOLAGZ-AWEZNQCLSA-N	-1	3	352.232	2.252	10	10		FECEHM
C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1N1CCOCC1	ZINC000180224125	547070223	/nfs/dbraw/zinc/07/02/23/547070223.db2.gz	BDBUCASWGVFBKW-WFASDCNBSA-N	-1	3	355.276	2.307	10	10		FECEHM
C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1N1CCOCC1	ZINC000245813476	548998538	/nfs/dbraw/zinc/99/85/38/548998538.db2.gz	ZUZWZCFKMIGOEE-XHDPSFHLSA-N	-1	3	355.822	2.106	10	10		FECEHM
Cc1noc([C@@H]2COCCN2Cc2cc(Br)ccc2[O-])n1	ZINC000188475694	548280647	/nfs/dbraw/zinc/28/06/47/548280647.db2.gz	LLWDSUOHXDFENN-LBPRGKRZSA-N	-1	3	354.204	2.420	10	10		FECEHM
CC(=O)c1cc(F)cc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1[O-]	ZINC000175648784	546327467	/nfs/dbraw/zinc/32/74/67/546327467.db2.gz	JISOAAAEKJETNQ-LLVKDONJSA-N	-1	3	362.405	2.304	10	10		FECEHM
Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2[O-])N2CCOCC2)s1	ZINC000193126962	548380230	/nfs/dbraw/zinc/38/02/30/548380230.db2.gz	UUBKHVASDLHJGV-CQSZACIVSA-N	-1	3	362.451	2.271	10	10		FECEHM
COc1cc([O-])c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OC(C)=O)C2=O	ZINC000014643655	220128266	/nfs/dbraw/zinc/12/82/66/220128266.db2.gz	WWYQJKVSCKMFCP-MSOLQXFVSA-N	-1	3	360.318	2.060	10	10	biogenic,in-vitro	FECEHM
C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1N1CCOCC1	ZINC000245689381	548975381	/nfs/dbraw/zinc/97/53/81/548975381.db2.gz	BDBUCASWGVFBKW-IUODEOHRSA-N	-1	3	355.276	2.307	10	10		FECEHM
C[C@H]1CN([C@H](CNC(=O)c2cccc(O)c2[O-])c2cccs2)CCO1	ZINC000248765442	672863046	/nfs/dbraw/zinc/86/30/46/672863046.db2.gz	RPCUGRCLTGZIRH-GXTWGEPZSA-N	-1	3	362.451	2.351	10	10		FECEHM
COC(=O)CN(Cc1nnc(C2CC2)n1C)Cc1cc(Cl)ccc1[O-]	ZINC000111238307	543388373	/nfs/dbraw/zinc/38/83/73/543388373.db2.gz	JBCNBAXROLWUBO-UHFFFAOYSA-N	-1	3	364.833	2.227	10	10		FECEHM
Cc1noc([C@H]2COCCN2Cc2cc(Br)ccc2[O-])n1	ZINC000188475721	548279771	/nfs/dbraw/zinc/27/97/71/548279771.db2.gz	LLWDSUOHXDFENN-GFCCVEGCSA-N	-1	3	354.204	2.420	10	10		FECEHM
[O-]c1ccc(Br)cc1CN1CCO[C@@H](Cn2cccn2)C1	ZINC000122145236	543703789	/nfs/dbraw/zinc/70/37/89/543703789.db2.gz	RZBKIXSCVOLAGZ-CQSZACIVSA-N	-1	3	352.232	2.252	10	10		FECEHM
CCCn1cc(CN2CCCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cn1	ZINC000182390492	547483780	/nfs/dbraw/zinc/48/37/80/547483780.db2.gz	HWNWMPQZWZKHFH-UHFFFAOYSA-N	-1	3	372.469	2.361	10	10		FECEHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccco2)c1	ZINC000094152820	542954887	/nfs/dbraw/zinc/95/48/87/542954887.db2.gz	DCUVSFGHVYBFTQ-ZDUSSCGKSA-N	-1	3	350.396	2.334	10	10		FECEHM
C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1N1CCOCC1	ZINC000180224110	547070086	/nfs/dbraw/zinc/07/00/86/547070086.db2.gz	BDBUCASWGVFBKW-DOMZBBRYSA-N	-1	3	355.276	2.307	10	10		FECEHM
CC[N@H+](CC(=O)[O-])C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000186685072	548174181	/nfs/dbraw/zinc/17/41/81/548174181.db2.gz	DOVKLYVWKZWBHG-UHFFFAOYSA-N	-1	3	352.406	2.105	10	10		FECEHM
CC[N@@H+](CC(=O)[O-])C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000186685072	548174185	/nfs/dbraw/zinc/17/41/85/548174185.db2.gz	DOVKLYVWKZWBHG-UHFFFAOYSA-N	-1	3	352.406	2.105	10	10		FECEHM
CCc1nnc([C@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)[nH]1	ZINC000129218302	544098047	/nfs/dbraw/zinc/09/80/47/544098047.db2.gz	XFZPOOXKQSXLAR-CYBMUJFWSA-N	-1	3	367.247	2.409	10	10		FECEHM
CCc1nc([C@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)n[nH]1	ZINC000129218302	544098050	/nfs/dbraw/zinc/09/80/50/544098050.db2.gz	XFZPOOXKQSXLAR-CYBMUJFWSA-N	-1	3	367.247	2.409	10	10		FECEHM
CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C[C@@H](C)O	ZINC000120705464	671933210	/nfs/dbraw/zinc/93/32/10/671933210.db2.gz	VCWIZOIQUVYJIY-BXUZGUMPSA-N	-1	3	357.838	2.231	10	10		FECEHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccco2)c1	ZINC000094152819	542954588	/nfs/dbraw/zinc/95/45/88/542954588.db2.gz	DCUVSFGHVYBFTQ-CYBMUJFWSA-N	-1	3	350.396	2.334	10	10		FECEHM
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(O)c1[O-]	ZINC000193126927	548379751	/nfs/dbraw/zinc/37/97/51/548379751.db2.gz	VNPZEXZJVCVUCS-AWEZNQCLSA-N	-1	3	362.451	2.305	10	10		FECEHM
CCc1nnc([C@@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)[nH]1	ZINC000129218104	544098031	/nfs/dbraw/zinc/09/80/31/544098031.db2.gz	XFZPOOXKQSXLAR-ZDUSSCGKSA-N	-1	3	367.247	2.409	10	10		FECEHM
CCc1nc([C@@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)n[nH]1	ZINC000129218104	544098033	/nfs/dbraw/zinc/09/80/33/544098033.db2.gz	XFZPOOXKQSXLAR-ZDUSSCGKSA-N	-1	3	367.247	2.409	10	10		FECEHM
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1[O-]	ZINC000177349977	546599451	/nfs/dbraw/zinc/59/94/51/546599451.db2.gz	UCBYDDPYVKUMKP-CQSZACIVSA-N	-1	3	350.806	2.248	10	10		FECEHM
COc1cc(Br)cc(CN2CC[C@H](N3CCOCC3)C2)c1[O-]	ZINC000120970941	543687329	/nfs/dbraw/zinc/68/73/29/543687329.db2.gz	OENIIUHUGZYMMQ-AWEZNQCLSA-N	-1	3	371.275	2.070	10	10		FECEHM
Cc1ccc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c([O-])c1O	ZINC000182466174	547498145	/nfs/dbraw/zinc/49/81/45/547498145.db2.gz	DZDMQTLZIAUDGW-UHFFFAOYSA-N	-1	3	372.425	2.015	10	10		FECEHM
COC(=O)CN(Cc1nnc(C(C)C)n1C)Cc1cc(Cl)ccc1[O-]	ZINC000111238244	543388693	/nfs/dbraw/zinc/38/86/93/543388693.db2.gz	JEGFUIGMOGAVMG-UHFFFAOYSA-N	-1	3	366.849	2.473	10	10		FECEHM
Cc1nnc([C@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)[nH]1	ZINC000180104031	547052549	/nfs/dbraw/zinc/05/25/49/547052549.db2.gz	ZBVLDVKGTSTHFF-CYBMUJFWSA-N	-1	3	353.220	2.155	10	10		FECEHM
Cc1nc([C@H]2CN(Cc3cc(Br)ccc3[O-])CCO2)n[nH]1	ZINC000180104031	547052550	/nfs/dbraw/zinc/05/25/50/547052550.db2.gz	ZBVLDVKGTSTHFF-CYBMUJFWSA-N	-1	3	353.220	2.155	10	10		FECEHM
C[C@@H]1CN([C@@H](CNC(=O)c2cccc(O)c2[O-])c2cccs2)CCO1	ZINC000193127001	672713389	/nfs/dbraw/zinc/71/33/89/672713389.db2.gz	RPCUGRCLTGZIRH-OCCSQVGLSA-N	-1	3	362.451	2.351	10	10		FECEHM
O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccccc1[O-]	ZINC000016929945	211171758	/nfs/dbraw/zinc/17/17/58/211171758.db2.gz	LGJGTDSESBTCTG-JYRVWZFOSA-N	-1	3	357.416	2.333	10	10		FECEHM
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](Cn3cncn3)C2)c1[O-]	ZINC000128569417	544060681	/nfs/dbraw/zinc/06/06/81/544060681.db2.gz	AVBIRKWPRGUFRI-NSHDSACASA-N	-1	3	351.794	2.458	10	10		FECEHM
COc1cc(Cl)cc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1[O-]	ZINC000184690850	547865945	/nfs/dbraw/zinc/86/59/45/547865945.db2.gz	GGRWZXMKZJUSJG-HNNXBMFYSA-N	-1	3	351.834	2.460	10	10		FECEHM
CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C[C@@H](C)O	ZINC000120705627	671932922	/nfs/dbraw/zinc/93/29/22/671932922.db2.gz	VCWIZOIQUVYJIY-RISCZKNCSA-N	-1	3	357.838	2.231	10	10		FECEHM
CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C[C@H](C)O	ZINC000245785107	672824602	/nfs/dbraw/zinc/82/46/02/672824602.db2.gz	VCWIZOIQUVYJIY-FZMZJTMJSA-N	-1	3	357.838	2.231	10	10		FECEHM
COc1ccc(N2CCN(c3nc(C(F)(F)F)cc(=O)[n-]3)CC2)cc1	ZINC000057342474	536702242	/nfs/dbraw/zinc/70/22/42/536702242.db2.gz	LCTRCGBKMASLPB-UHFFFAOYSA-N	-1	3	354.332	2.124	10	10		FECEHM
Cc1nnc([C@@H]2CN(Cc3cc(Br)cc(C)c3[O-])CCO2)[nH]1	ZINC000180612153	547141525	/nfs/dbraw/zinc/14/15/25/547141525.db2.gz	LLEDYMNEEOWTOQ-ZDUSSCGKSA-N	-1	3	367.247	2.463	10	10		FECEHM
CC(C)(C)n1cc(CN2CCN(C(=O)c3cccc(O)c3[O-])CC2)cn1	ZINC000193069619	548379122	/nfs/dbraw/zinc/37/91/22/548379122.db2.gz	XTWJWKDMRWOTKR-UHFFFAOYSA-N	-1	3	358.442	2.007	10	10		FECEHM
CCc1nnc([C@H]2CN(Cc3cc(Cl)cc(OC)c3[O-])CCO2)[nH]1	ZINC000184670739	547863445	/nfs/dbraw/zinc/86/34/45/547863445.db2.gz	RCZRBEZSKWBFPH-CYBMUJFWSA-N	-1	3	352.822	2.308	10	10		FECEHM
CCc1nnc([C@@H]2CN(Cc3cc(Cl)cc(OC)c3[O-])CCO2)[nH]1	ZINC000184670720	547863641	/nfs/dbraw/zinc/86/36/41/547863641.db2.gz	RCZRBEZSKWBFPH-ZDUSSCGKSA-N	-1	3	352.822	2.308	10	10		FECEHM
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](Cn3cncn3)C2)c1[O-]	ZINC000128569684	544060321	/nfs/dbraw/zinc/06/03/21/544060321.db2.gz	AVBIRKWPRGUFRI-LLVKDONJSA-N	-1	3	351.794	2.458	10	10		FECEHM
C[C@@H]1CN([C@H](CNC(=O)c2cccc(O)c2[O-])c2cccs2)CCO1	ZINC000248765448	672862985	/nfs/dbraw/zinc/86/29/85/672862985.db2.gz	RPCUGRCLTGZIRH-TZMCWYRMSA-N	-1	3	362.451	2.351	10	10		FECEHM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c1[O-]	ZINC000177349962	546599439	/nfs/dbraw/zinc/59/94/39/546599439.db2.gz	UCBYDDPYVKUMKP-AWEZNQCLSA-N	-1	3	350.806	2.248	10	10		FECEHM
COc1cc(Cl)cc(CN2CCCN(Cc3noc(C)n3)CC2)c1[O-]	ZINC000184670564	547863955	/nfs/dbraw/zinc/86/39/55/547863955.db2.gz	DDWOIGOJUAZIOD-UHFFFAOYSA-N	-1	3	366.849	2.454	10	10		FECEHM
Cc1ccc(C(=O)c2coc3ccc([O-])c(CN(CCO)CCO)c32)cc1	ZINC000004653922	539389393	/nfs/dbraw/zinc/38/93/93/539389393.db2.gz	KPOKWMXYPLBMIR-UHFFFAOYSA-N	-1	3	369.417	2.464	10	10		FECEHM
CC(=O)c1cc(F)cc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c1[O-]	ZINC000175649043	546327538	/nfs/dbraw/zinc/32/75/38/546327538.db2.gz	SHNSQJSAHLXBCV-UHFFFAOYSA-N	-1	3	374.460	2.402	10	10		FECEHM
Cc1cc(Cl)cc(CN2CCN(c3ccc4nncn4n3)CC2)c1[O-]	ZINC000180081549	547048658	/nfs/dbraw/zinc/04/86/58/547048658.db2.gz	NUKHHGQPIRWZPC-UHFFFAOYSA-N	-1	3	358.833	2.114	10	10		FECEHM
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1N1CCOCC1	ZINC000245813472	548998866	/nfs/dbraw/zinc/99/88/66/548998866.db2.gz	ZUZWZCFKMIGOEE-IAQYHMDHSA-N	-1	3	355.822	2.106	10	10		FECEHM
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1N1CCOCC1	ZINC000180227769	547069792	/nfs/dbraw/zinc/06/97/92/547069792.db2.gz	ZUZWZCFKMIGOEE-ABAIWWIYSA-N	-1	3	355.822	2.106	10	10		FECEHM