smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@H+]1CCC[C@@H]1C[C@@H](C)O	159385113	538032866	/nfs/dbraw/zinc/03/28/66/538032866.db2.gz	WTVVSANUKPSESO-NXEZZACHSA-N	1	1	171.284	1.632	20	70		ADIDMO
CC(C)CC[N@H+]1CC[C@@H]([C@@H](C)O)C1	159468755	538034314	/nfs/dbraw/zinc/03/43/14/538034314.db2.gz	BQJVFMQGFRNKHP-GHMZBOCLSA-N	1	1	185.311	1.735	20	70		ADIDMO
CCC[N@H+]1CCC[C@H]1C[C@@H](C)O	159385233	538034458	/nfs/dbraw/zinc/03/44/58/538034458.db2.gz	WTVVSANUKPSESO-ZJUUUORDSA-N	1	1	171.284	1.632	20	70		ADIDMO
Cc1ccc(F)cc1C[N@@H+](C)CCO	159459684	538034981	/nfs/dbraw/zinc/03/49/81/538034981.db2.gz	OMYRJKGHBSXTCS-UHFFFAOYSA-N	1	1	197.253	1.558	20	70		ADIDMO
CC(C)CC[N@H+]1CC[C@H]([C@@H](C)O)C1	159468606	538035810	/nfs/dbraw/zinc/03/58/10/538035810.db2.gz	BQJVFMQGFRNKHP-MNOVXSKESA-N	1	1	185.311	1.735	20	70		ADIDMO
CC[C@H](C)C[N@H+]1CC[C@H]([C@@H](C)O)C1	159467075	538036391	/nfs/dbraw/zinc/03/63/91/538036391.db2.gz	DVQMSFLQLCLIDJ-AXFHLTTASA-N	1	1	185.311	1.735	20	70		ADIDMO
Cc1[nH]ncc1C[NH2+][C@@H](C)C1CCC1	160177014	538038417	/nfs/dbraw/zinc/03/84/17/538038417.db2.gz	KNOATGRLSCAIFQ-QMMMGPOBSA-N	1	1	193.294	1.996	20	70		ADIDMO
Cc1[nH]ncc1C[NH2+][C@H](C)C1CCC1	160177110	538039412	/nfs/dbraw/zinc/03/94/12/538039412.db2.gz	KNOATGRLSCAIFQ-MRVPVSSYSA-N	1	1	193.294	1.996	20	70		ADIDMO
CC[N@@H+](CCCO)[C@@H](C)CCOC	160729403	538049395	/nfs/dbraw/zinc/04/93/95/538049395.db2.gz	JYAZVDLFRYCFRE-JTQLQIEISA-N	1	1	189.299	1.116	20	70		ADIDMO
CC[N@@H+](CCCO)[C@H](C)CCOC	160729521	538050010	/nfs/dbraw/zinc/05/00/10/538050010.db2.gz	JYAZVDLFRYCFRE-SNVBAGLBSA-N	1	1	189.299	1.116	20	70		ADIDMO
C[C@H](O)CC[N@@H+](C)Cc1ccco1	161284297	538057435	/nfs/dbraw/zinc/05/74/35/538057435.db2.gz	RMWYRZATCWZZOS-VIFPVBQESA-N	1	1	183.251	1.482	20	70		ADIDMO
CC(C)C[N@@H+](C)Cc1ccc(CO)o1	161157065	538057459	/nfs/dbraw/zinc/05/74/59/538057459.db2.gz	LREUSBKKTQIABV-UHFFFAOYSA-N	1	1	197.278	1.860	20	70		ADIDMO
CC[N@@H+](CCCO)Cc1ccsc1	161300930	538057785	/nfs/dbraw/zinc/05/77/85/538057785.db2.gz	VFDFIHATVDGISB-UHFFFAOYSA-N	1	1	199.319	1.952	20	70		ADIDMO
C[C@H]([NH2+][C@H](C)CO)c1cscn1	161163465	538057846	/nfs/dbraw/zinc/05/78/46/538057846.db2.gz	QXEMGTJCVZIQEF-RQJHMYQMSA-N	1	1	186.280	1.175	20	70		ADIDMO
C[N@@H+](Cc1ccc(CO)o1)C1CCC1	161283445	538058676	/nfs/dbraw/zinc/05/86/76/538058676.db2.gz	MBSAWHSRFIAYAC-UHFFFAOYSA-N	1	1	195.262	1.756	20	70		ADIDMO
C[C@H](O)CC[N@@H+](C)Cc1cccs1	161284672	538058732	/nfs/dbraw/zinc/05/87/32/538058732.db2.gz	FTGGAUZXEZMZQG-VIFPVBQESA-N	1	1	199.319	1.951	20	70		ADIDMO
C[C@H](CO)[NH2+][C@H](C)c1cscn1	161163579	538059666	/nfs/dbraw/zinc/05/96/66/538059666.db2.gz	QXEMGTJCVZIQEF-RNFRBKRXSA-N	1	1	186.280	1.175	20	70		ADIDMO
C[N@@H+](Cc1ccc(CO)o1)C1CC1	161158715	538059801	/nfs/dbraw/zinc/05/98/01/538059801.db2.gz	SBXXHSUVJSAPRN-UHFFFAOYSA-N	1	1	181.235	1.366	20	70		ADIDMO
C[C@@H](O)CC[N@@H+](C)Cc1ccco1	161284422	538061237	/nfs/dbraw/zinc/06/12/37/538061237.db2.gz	RMWYRZATCWZZOS-SECBINFHSA-N	1	1	183.251	1.482	20	70		ADIDMO
CC[N@@H+](CCCO)Cc1ccc(C)o1	161299585	538060540	/nfs/dbraw/zinc/06/05/40/538060540.db2.gz	KSSXNHKMXVLKNX-UHFFFAOYSA-N	1	1	197.278	1.792	20	70		ADIDMO
Cc1cc(F)ccc1C[N@@H+](C)CCO	161228674	538060983	/nfs/dbraw/zinc/06/09/83/538060983.db2.gz	CKNTZPSRZXMLEB-UHFFFAOYSA-N	1	1	197.253	1.558	20	70		ADIDMO
CC[N@@H+](Cc1ccc(CO)o1)C1CC1	161158078	538061362	/nfs/dbraw/zinc/06/13/62/538061362.db2.gz	TUZJTZNIHGNYCI-UHFFFAOYSA-N	1	1	195.262	1.756	20	70		ADIDMO
C[C@@H](O)CC[N@@H+](C)Cc1cccs1	161284795	538061697	/nfs/dbraw/zinc/06/16/97/538061697.db2.gz	FTGGAUZXEZMZQG-SECBINFHSA-N	1	1	199.319	1.951	20	70		ADIDMO
COCCCn1c[nH+]c2c1CCCC2	160403444	486974670	/nfs/dbraw/zinc/97/46/70/486974670.db2.gz	WYENEBVGGWXBRV-UHFFFAOYSA-N	1	1	194.278	1.798	20	70		ADIDMO
CCCNCC[NH2+]C[C@@H]1C[C@@H]1C	161354327	486979636	/nfs/dbraw/zinc/97/96/36/486979636.db2.gz	VGJMNDJHTIIYNP-UWVGGRQHSA-N	1	1	170.300	1.232	20	70		ADIDMO
CCC[NH2+]CCNC[C@@H]1C[C@@H]1C	161354327	486979647	/nfs/dbraw/zinc/97/96/47/486979647.db2.gz	VGJMNDJHTIIYNP-UWVGGRQHSA-N	1	1	170.300	1.232	20	70		ADIDMO
CCCNCC[NH2+]C[C@H]1C[C@H]1C	161354697	486979745	/nfs/dbraw/zinc/97/97/45/486979745.db2.gz	VGJMNDJHTIIYNP-NXEZZACHSA-N	1	1	170.300	1.232	20	70		ADIDMO
CCC[NH2+]CCNC[C@H]1C[C@H]1C	161354697	486979751	/nfs/dbraw/zinc/97/97/51/486979751.db2.gz	VGJMNDJHTIIYNP-NXEZZACHSA-N	1	1	170.300	1.232	20	70		ADIDMO
CCCNCC[NH2+]C[C@@H]1C[C@H]1C	161354572	486979870	/nfs/dbraw/zinc/97/98/70/486979870.db2.gz	VGJMNDJHTIIYNP-ZJUUUORDSA-N	1	1	170.300	1.232	20	70		ADIDMO
CCC[NH2+]CCNC[C@@H]1C[C@H]1C	161354572	486979877	/nfs/dbraw/zinc/97/98/77/486979877.db2.gz	VGJMNDJHTIIYNP-ZJUUUORDSA-N	1	1	170.300	1.232	20	70		ADIDMO
CCCNCC[NH2+]C[C@H]1C[C@@H]1C	161354447	486980030	/nfs/dbraw/zinc/98/00/30/486980030.db2.gz	VGJMNDJHTIIYNP-VHSXEESVSA-N	1	1	170.300	1.232	20	70		ADIDMO
CCC[NH2+]CCNC[C@H]1C[C@@H]1C	161354447	486980033	/nfs/dbraw/zinc/98/00/33/486980033.db2.gz	VGJMNDJHTIIYNP-VHSXEESVSA-N	1	1	170.300	1.232	20	70		ADIDMO
C[C@@H](Cc1ccsc1)NCC[NH3+]	218197810	487029095	/nfs/dbraw/zinc/02/90/95/487029095.db2.gz	QGOQRLKVZUTPJH-QMMMGPOBSA-N	1	1	184.308	1.227	20	70		ADIDMO
C[C@H](Cc1ccsc1)NCC[NH3+]	218197864	487029078	/nfs/dbraw/zinc/02/90/78/487029078.db2.gz	QGOQRLKVZUTPJH-MRVPVSSYSA-N	1	1	184.308	1.227	20	70		ADIDMO
CSC[C@H]1CCC[N@H+]1C	218221025	582478857	/nfs/dbraw/zinc/47/88/57/582478857.db2.gz	MTPGQRXVFGFEIW-SSDOTTSWSA-N	1	1	145.271	1.444	20	70		ADIDMO
CSC[C@@H]1CCC[N@H+]1C	218221083	582478864	/nfs/dbraw/zinc/47/88/64/582478864.db2.gz	MTPGQRXVFGFEIW-ZETCQYMHSA-N	1	1	145.271	1.444	20	70		ADIDMO
CCCC[N@H+]1CCC[C@@H](CO)CC1	217033848	583488044	/nfs/dbraw/zinc/48/80/44/583488044.db2.gz	GXNYMZSLLPFWJF-LLVKDONJSA-N	1	1	185.311	1.881	20	70		ADIDMO
CC[C@H](C)[N@H+]1CCc2ncncc2C1	217806963	583490710	/nfs/dbraw/zinc/49/07/10/583490710.db2.gz	GJKCKIXVDAEFDK-VIFPVBQESA-N	1	1	191.278	1.633	20	70		ADIDMO
CC[C@@H](C)[N@H+]1CCc2ncncc2C1	217806870	583490741	/nfs/dbraw/zinc/49/07/41/583490741.db2.gz	GJKCKIXVDAEFDK-SECBINFHSA-N	1	1	191.278	1.633	20	70		ADIDMO
COCC[N@H+](C)Cc1cncs1	217631984	490067971	/nfs/dbraw/zinc/06/79/71/490067971.db2.gz	DYDKREBRFGMOQA-UHFFFAOYSA-N	1	1	186.280	1.221	20	70		ADIDMO
COCC[N@@H+](C)Cc1cncs1	217631984	490067976	/nfs/dbraw/zinc/06/79/76/490067976.db2.gz	DYDKREBRFGMOQA-UHFFFAOYSA-N	1	1	186.280	1.221	20	70		ADIDMO
CC[N@@H+](CCCF)CCOC	217502859	490068065	/nfs/dbraw/zinc/06/80/65/490068065.db2.gz	ZUUFNGTXQBUKMO-UHFFFAOYSA-N	1	1	163.236	1.314	20	70		ADIDMO
CN1CC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21	217682480	490068373	/nfs/dbraw/zinc/06/83/73/490068373.db2.gz	LEFUIFPEEZZWTQ-MNOVXSKESA-N	1	1	180.295	1.032	20	70		ADIDMO
CCC[C@H](O)CNc1cccc(C)[nH+]1	217999727	490069206	/nfs/dbraw/zinc/06/92/06/490069206.db2.gz	MPNFMJMUXKBULG-JTQLQIEISA-N	1	1	194.278	1.963	20	70		ADIDMO
CC[C@@H](CCO)Nc1cccc(C)[nH+]1	217991662	490069414	/nfs/dbraw/zinc/06/94/14/490069414.db2.gz	CZYPCFZTMNHIPC-JTQLQIEISA-N	1	1	194.278	1.963	20	70		ADIDMO
CCC[C@@H](O)CNc1cccc(C)[nH+]1	217999653	490069430	/nfs/dbraw/zinc/06/94/30/490069430.db2.gz	MPNFMJMUXKBULG-SNVBAGLBSA-N	1	1	194.278	1.963	20	70		ADIDMO
CC[C@H](CCO)Nc1cccc(C)[nH+]1	217991750	490069438	/nfs/dbraw/zinc/06/94/38/490069438.db2.gz	CZYPCFZTMNHIPC-SNVBAGLBSA-N	1	1	194.278	1.963	20	70		ADIDMO
CCC[C@@H](C)[N@@H+](CC)CCO	218774647	490070651	/nfs/dbraw/zinc/07/06/51/490070651.db2.gz	KEBXAQYNOJHHON-SECBINFHSA-N	1	1	159.273	1.489	20	70		ADIDMO
CCCC[C@H](C)[N@@H+](C)CCCO	218783896	490070698	/nfs/dbraw/zinc/07/06/98/490070698.db2.gz	UPZANUFQLRKXLZ-JTQLQIEISA-N	1	1	173.300	1.879	20	70		ADIDMO
CCC[C@H](C)[N@@H+](CC)CCO	218774727	490070901	/nfs/dbraw/zinc/07/09/01/490070901.db2.gz	KEBXAQYNOJHHON-VIFPVBQESA-N	1	1	159.273	1.489	20	70		ADIDMO
CCCC[C@@H](C)[N@@H+](C)CCCO	218783814	490071003	/nfs/dbraw/zinc/07/10/03/490071003.db2.gz	UPZANUFQLRKXLZ-SNVBAGLBSA-N	1	1	173.300	1.879	20	70		ADIDMO
CCOC(=O)C[N@H+]1CC[C@H](C)[C@H](C)C1	160978818	344182148	/nfs/dbraw/zinc/18/21/48/344182148.db2.gz	GHUAAMIECZFLIW-VHSXEESVSA-N	1	1	199.294	1.527	20	70		ADIDMO
CCC[N@@H+](CCO)[C@@H]1C=CCCC1	161123474	344185482	/nfs/dbraw/zinc/18/54/82/344185482.db2.gz	JXZHHZFLJJBYOD-LLVKDONJSA-N	1	1	183.295	1.799	20	70		ADIDMO
CCC[N@@H+](CCO)[C@H]1C=CCCC1	161123343	344185486	/nfs/dbraw/zinc/18/54/86/344185486.db2.gz	JXZHHZFLJJBYOD-NSHDSACASA-N	1	1	183.295	1.799	20	70		ADIDMO
CC[N@@H+](CCO)[C@H]1C=CCCC1	161122827	344185763	/nfs/dbraw/zinc/18/57/63/344185763.db2.gz	JMYPFLJHDCUXIR-JTQLQIEISA-N	1	1	169.268	1.409	20	70		ADIDMO
CC[N@H+]1CCC[C@@H]1c1nc(C)no1	218764354	344415680	/nfs/dbraw/zinc/41/56/80/344415680.db2.gz	AAICJFJYEFUNQH-MRVPVSSYSA-N	1	1	181.239	1.535	20	70		ADIDMO
CC[N@@H+](C)[C@H](CO)c1ccccc1	218378550	344412094	/nfs/dbraw/zinc/41/20/94/344412094.db2.gz	RXSBYOBZUQNNPD-LLVKDONJSA-N	1	1	179.263	1.672	20	70		ADIDMO
Cc1noc([C@H](C)[NH+]2CCCC2)n1	218764561	409514030	/nfs/dbraw/zinc/51/40/30/409514030.db2.gz	VXFWTAQFEJMIAU-ZETCQYMHSA-N	1	1	181.239	1.535	20	70		ADIDMO
CC[N@@H+](C)Cc1cc(O)cc(F)c1	159817011	344152775	/nfs/dbraw/zinc/15/27/75/344152775.db2.gz	RIYRDWZBVJRSOW-UHFFFAOYSA-N	1	1	183.226	1.983	20	70		ADIDMO
COC(=O)[C@@H](C)[NH2+][C@H](C)C1CCC1	160029565	344156987	/nfs/dbraw/zinc/15/69/87/344156987.db2.gz	LXJLXUIPGRTMGE-HTQZYQBOSA-N	1	1	185.267	1.326	20	70		ADIDMO
CC[C@@H]([NH2+][C@H](C)C1CCC1)C(=O)OC	160029040	344156989	/nfs/dbraw/zinc/15/69/89/344156989.db2.gz	KIAQBYKPOYFILQ-PSASIEDQSA-N	1	1	199.294	1.716	20	70		ADIDMO
COC(=O)[C@H](C)[NH2+][C@H](C)C1CCC1	160029336	344157150	/nfs/dbraw/zinc/15/71/50/344157150.db2.gz	LXJLXUIPGRTMGE-SFYZADRCSA-N	1	1	185.267	1.326	20	70		ADIDMO
CC[C@H]([NH2+][C@H](C)C1CCC1)C(=O)OC	160028915	344157161	/nfs/dbraw/zinc/15/71/61/344157161.db2.gz	KIAQBYKPOYFILQ-SCZZXKLOSA-N	1	1	199.294	1.716	20	70		ADIDMO
COC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCC1	160029455	344157199	/nfs/dbraw/zinc/15/71/99/344157199.db2.gz	LXJLXUIPGRTMGE-JGVFFNPUSA-N	1	1	185.267	1.326	20	70		ADIDMO
CC[C@@H]([NH2+][C@@H](C)C1CCC1)C(=O)OC	160028767	344157259	/nfs/dbraw/zinc/15/72/59/344157259.db2.gz	KIAQBYKPOYFILQ-WCBMZHEXSA-N	1	1	199.294	1.716	20	70		ADIDMO
COC(=O)[C@H](C)[NH2+][C@@H](C)C1CCC1	160029197	344157302	/nfs/dbraw/zinc/15/73/02/344157302.db2.gz	LXJLXUIPGRTMGE-YUMQZZPRSA-N	1	1	185.267	1.326	20	70		ADIDMO
CC[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)OC	160028620	344157400	/nfs/dbraw/zinc/15/74/00/344157400.db2.gz	KIAQBYKPOYFILQ-WPRPVWTQSA-N	1	1	199.294	1.716	20	70		ADIDMO
Cc1[nH+]cn(CCn2ccnc2)c1C	160399983	344164382	/nfs/dbraw/zinc/16/43/82/344164382.db2.gz	HWHBKCBYMZXBPO-UHFFFAOYSA-N	1	1	190.250	1.397	20	70		ADIDMO
COCCn1c[nH+]c2c1CCCC2	160403075	344165071	/nfs/dbraw/zinc/16/50/71/344165071.db2.gz	CNGCSSMRVINLPN-UHFFFAOYSA-N	1	1	180.251	1.408	20	70		ADIDMO
CSCC[N@@H+](C)CCCCCO	160920112	344180846	/nfs/dbraw/zinc/18/08/46/344180846.db2.gz	WILYFEUHHQMUIT-UHFFFAOYSA-N	1	1	191.340	1.444	20	70		ADIDMO
COC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C)C1	160978655	344182215	/nfs/dbraw/zinc/18/22/15/344182215.db2.gz	PTQLRBKFMYFRRT-UWVGGRQHSA-N	1	1	199.294	1.527	20	70		ADIDMO
COC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C)C1	160978525	344182372	/nfs/dbraw/zinc/18/23/72/344182372.db2.gz	PTQLRBKFMYFRRT-ZJUUUORDSA-N	1	1	199.294	1.527	20	70		ADIDMO
CCOC(=O)C[N@H+]1CC[C@@H](C)[C@H](C)C1	160978983	344182420	/nfs/dbraw/zinc/18/24/20/344182420.db2.gz	GHUAAMIECZFLIW-NXEZZACHSA-N	1	1	199.294	1.527	20	70		ADIDMO
CC[N@@H+](CCO)[C@@H]1C=CCCC1	161122960	344185537	/nfs/dbraw/zinc/18/55/37/344185537.db2.gz	JMYPFLJHDCUXIR-SNVBAGLBSA-N	1	1	169.268	1.409	20	70		ADIDMO
OCC[N@@H+](C1CC1)[C@H]1C=CCCC1	161124135	344185642	/nfs/dbraw/zinc/18/56/42/344185642.db2.gz	XFLLUKZKFYOIRC-JTQLQIEISA-N	1	1	181.279	1.552	20	70		ADIDMO
OCC[N@@H+](C1CC1)[C@@H]1C=CCCC1	161124235	344185706	/nfs/dbraw/zinc/18/57/06/344185706.db2.gz	XFLLUKZKFYOIRC-SNVBAGLBSA-N	1	1	181.279	1.552	20	70		ADIDMO
COCC[N@@H+](CCO)[C@H]1C=CCCC1	161200755	344186732	/nfs/dbraw/zinc/18/67/32/344186732.db2.gz	JKKVUGVBWCXZRA-NSHDSACASA-N	1	1	199.294	1.036	20	70		ADIDMO
COCC[N@@H+](CCO)[C@@H]1C=CCCC1	161200875	344186790	/nfs/dbraw/zinc/18/67/90/344186790.db2.gz	JKKVUGVBWCXZRA-LLVKDONJSA-N	1	1	199.294	1.036	20	70		ADIDMO
C[N@@H+](Cc1cnc(N)s1)C1CCC1	161283565	344188667	/nfs/dbraw/zinc/18/86/67/344188667.db2.gz	ZPVGHZVNLQNIEW-UHFFFAOYSA-N	1	1	197.307	1.710	20	70		ADIDMO
CSCC[C@@H](C)[N@H+](C)CCN	161489148	344191836	/nfs/dbraw/zinc/19/18/36/344191836.db2.gz	ZMFJZQSBFPQVRN-MRVPVSSYSA-N	1	1	176.329	1.019	20	70		ADIDMO
CSCC[C@H](C)[N@H+](C)CCN	161489016	344191859	/nfs/dbraw/zinc/19/18/59/344191859.db2.gz	ZMFJZQSBFPQVRN-QMMMGPOBSA-N	1	1	176.329	1.019	20	70		ADIDMO
CC[N@H+]1CCC[C@@H]1c1ncccn1	216850396	344399496	/nfs/dbraw/zinc/39/94/96/344399496.db2.gz	UHOGRTNEHNHFEB-SECBINFHSA-N	1	1	177.251	1.633	20	70		ADIDMO
CCC(=O)NCC[N@H+](C)[C@@H](C)CC	217405622	344401181	/nfs/dbraw/zinc/40/11/81/344401181.db2.gz	XWTWQEOVLGCKSP-VIFPVBQESA-N	1	1	186.299	1.243	20	70		ADIDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C1CC1	217405808	344401276	/nfs/dbraw/zinc/40/12/76/344401276.db2.gz	NLDJLYAXIUENAD-SECBINFHSA-N	1	1	198.310	1.243	20	70		ADIDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C1CC1	217405871	344401380	/nfs/dbraw/zinc/40/13/80/344401380.db2.gz	NLDJLYAXIUENAD-VIFPVBQESA-N	1	1	198.310	1.243	20	70		ADIDMO
CCC(=O)NCC[N@H+](C)[C@H](C)CC	217405675	344401390	/nfs/dbraw/zinc/40/13/90/344401390.db2.gz	XWTWQEOVLGCKSP-SECBINFHSA-N	1	1	186.299	1.243	20	70		ADIDMO
CC(C)C[N@H+]1CCO[C@@H]2CCC[C@@H]21	217511746	344402148	/nfs/dbraw/zinc/40/21/48/344402148.db2.gz	KZOQPZSCTLHBBY-WDEREUQCSA-N	1	1	183.295	1.896	20	70		ADIDMO
CC[N@@H+](CCOC)CCC(F)(F)F	217490942	344402223	/nfs/dbraw/zinc/40/22/23/344402223.db2.gz	HPHXWKJTPOFTTR-UHFFFAOYSA-N	1	1	199.216	1.907	20	70		ADIDMO
CC(C)C[N@H+]1CCO[C@H]2CCC[C@@H]21	217511658	344402275	/nfs/dbraw/zinc/40/22/75/344402275.db2.gz	KZOQPZSCTLHBBY-QWRGUYRKSA-N	1	1	183.295	1.896	20	70		ADIDMO
CC[N@@H+](CCOC)Cc1cccnc1	217490615	344402634	/nfs/dbraw/zinc/40/26/34/344402634.db2.gz	XNFKBYTWMWUYIR-UHFFFAOYSA-N	1	1	194.278	1.550	20	70		ADIDMO
CCC[N@H+]1CC[C@@](C)(F)C1	217530558	344402860	/nfs/dbraw/zinc/40/28/60/344402860.db2.gz	IWEATJMOUFHBJM-MRVPVSSYSA-N	1	1	145.221	1.830	20	70		ADIDMO
CCC[N@H+]1CC[C@](C)(F)C1	217530644	344402953	/nfs/dbraw/zinc/40/29/53/344402953.db2.gz	IWEATJMOUFHBJM-QMMMGPOBSA-N	1	1	145.221	1.830	20	70		ADIDMO
CC[N@H+]1CCOC2(CCCC2)C1	217694755	344405093	/nfs/dbraw/zinc/40/50/93/344405093.db2.gz	HRDUMDPLCYVUMS-UHFFFAOYSA-N	1	1	169.268	1.651	20	70		ADIDMO
CC[N@@H+](CCCO)C1CCC1	217734751	344405795	/nfs/dbraw/zinc/40/57/95/344405795.db2.gz	RDWYNOHBIDUMHE-UHFFFAOYSA-N	1	1	157.257	1.243	20	70		ADIDMO
CCCOCn1cc[nH+]c1C	217766846	344406265	/nfs/dbraw/zinc/40/62/65/344406265.db2.gz	POZIPBZMKCVVGB-UHFFFAOYSA-N	1	1	154.213	1.576	20	70		ADIDMO
COC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)C1	217977290	344408334	/nfs/dbraw/zinc/40/83/34/344408334.db2.gz	GFKRDULXJDRWCG-BBBLOLIVSA-N	1	1	199.294	1.716	20	70		ADIDMO
COC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1	217977209	344408384	/nfs/dbraw/zinc/40/83/84/344408384.db2.gz	GFKRDULXJDRWCG-OPRDCNLKSA-N	1	1	199.294	1.716	20	70		ADIDMO
CCCC[N@H+]1C[C@H](C)OC[C@@H]1C	218669421	344414730	/nfs/dbraw/zinc/41/47/30/344414730.db2.gz	BRYLIXFBAVZYCU-UWVGGRQHSA-N	1	1	171.284	1.896	20	70		ADIDMO
CC[N@@H+]1CCC[C@@H]1c1nc(C)no1	218764354	344415679	/nfs/dbraw/zinc/41/56/79/344415679.db2.gz	AAICJFJYEFUNQH-MRVPVSSYSA-N	1	1	181.239	1.535	20	70		ADIDMO
CC[NH+](CC)[C@H](C)c1nc(C)no1	218769102	344416193	/nfs/dbraw/zinc/41/61/93/344416193.db2.gz	YCTQOPQRWPCBFV-SSDOTTSWSA-N	1	1	183.255	1.781	20	70		ADIDMO
CC[NH+](CC)[C@@H](C)c1nc(C)no1	218769025	344416235	/nfs/dbraw/zinc/41/62/35/344416235.db2.gz	YCTQOPQRWPCBFV-ZETCQYMHSA-N	1	1	183.255	1.781	20	70		ADIDMO
CC[C@@H](C)C[N@@H+](C)CCOC	217683134	375418628	/nfs/dbraw/zinc/41/86/28/375418628.db2.gz	CFJZGSVPWDSEGF-SECBINFHSA-N	1	1	159.273	1.611	20	70		ADIDMO
CC[C@H](C)C[N@@H+](C)CCOC	217683226	375418744	/nfs/dbraw/zinc/41/87/44/375418744.db2.gz	CFJZGSVPWDSEGF-VIFPVBQESA-N	1	1	159.273	1.611	20	70		ADIDMO
C[C@H](N)C[NH2+][C@H](C)Cc1ccsc1	218311114	409513720	/nfs/dbraw/zinc/51/37/20/409513720.db2.gz	XEJDVMGYYPIEDE-DTWKUNHWSA-N	1	1	198.335	1.616	20	70		ADIDMO
C[C@H]([NH3+])CN[C@H](C)Cc1ccsc1	218311114	409513721	/nfs/dbraw/zinc/51/37/21/409513721.db2.gz	XEJDVMGYYPIEDE-DTWKUNHWSA-N	1	1	198.335	1.616	20	70		ADIDMO
CCOC[C@@H]1CCCC[N@H+]1CC	218482903	409513778	/nfs/dbraw/zinc/51/37/78/409513778.db2.gz	MQXXYGOGOOPCSB-JTQLQIEISA-N	1	1	171.284	1.897	20	70		ADIDMO
C[C@@H](N)C[NH2+][C@H](C)Cc1ccsc1	218311018	409514171	/nfs/dbraw/zinc/51/41/71/409514171.db2.gz	XEJDVMGYYPIEDE-RKDXNWHRSA-N	1	1	198.335	1.616	20	70		ADIDMO
C[C@@H]([NH3+])CN[C@H](C)Cc1ccsc1	218311018	409514177	/nfs/dbraw/zinc/51/41/77/409514177.db2.gz	XEJDVMGYYPIEDE-RKDXNWHRSA-N	1	1	198.335	1.616	20	70		ADIDMO
C[C@H](N)C[NH2+][C@@H](C)Cc1ccsc1	218311062	409514847	/nfs/dbraw/zinc/51/48/47/409514847.db2.gz	XEJDVMGYYPIEDE-IUCAKERBSA-N	1	1	198.335	1.616	20	70		ADIDMO
C[C@H]([NH3+])CN[C@@H](C)Cc1ccsc1	218311062	409514854	/nfs/dbraw/zinc/51/48/54/409514854.db2.gz	XEJDVMGYYPIEDE-IUCAKERBSA-N	1	1	198.335	1.616	20	70		ADIDMO
Cc1noc([C@@H](C)[NH+]2CCCC2)n1	218764524	409514938	/nfs/dbraw/zinc/51/49/38/409514938.db2.gz	VXFWTAQFEJMIAU-SSDOTTSWSA-N	1	1	181.239	1.535	20	70		ADIDMO
CCOC[C@H]1CCCC[N@H+]1CC	218482824	409514952	/nfs/dbraw/zinc/51/49/52/409514952.db2.gz	MQXXYGOGOOPCSB-SNVBAGLBSA-N	1	1	171.284	1.897	20	70		ADIDMO
C[C@@H](Cc1ccsc1)[NH2+]C[C@@H](C)N	218310959	409515109	/nfs/dbraw/zinc/51/51/09/409515109.db2.gz	XEJDVMGYYPIEDE-BDAKNGLRSA-N	1	1	198.335	1.616	20	70		ADIDMO
C[C@@H](Cc1ccsc1)NC[C@@H](C)[NH3+]	218310959	409515115	/nfs/dbraw/zinc/51/51/15/409515115.db2.gz	XEJDVMGYYPIEDE-BDAKNGLRSA-N	1	1	198.335	1.616	20	70		ADIDMO
CCCC[N@H+]1CCC[C@H](CO)CC1	217033812	573570350	/nfs/dbraw/zinc/57/03/50/573570350.db2.gz	GXNYMZSLLPFWJF-NSHDSACASA-N	1	1	185.311	1.881	20	70		ADIDMO