smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1	ZINC000014973957	204549494	/nfs/dbraw/zinc/54/94/94/204549494.db2.gz	GHBQNWUSTNMXSR-UHFFFAOYSA-O	1	0	391.333	4.536	1	5		GJBFRO
COc1cc2c(c(OC)c1OC)[C@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2	ZINC000036184620	717125277	/nfs/dbraw/zinc/12/52/77/717125277.db2.gz	XPGJMSLOJIEWIQ-NRFANRHFSA-N	1	0	392.519	4.782	1	5		GJBFRO
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[N+]1(C)CCCC1	ZINC000006010179	717103727	/nfs/dbraw/zinc/10/37/27/717103727.db2.gz	BNGLMWNLXJDGMK-OALUTQOASA-N	1	0	384.371	4.546	1	5		GJBFRO
COc1cccc2c1CCC[C@@H]2CCC[N+]1(C)CCN(C2CCCCC2)CC1	ZINC000045319763	205094409	/nfs/dbraw/zinc/09/44/09/205094409.db2.gz	BGWHWCHPLYOFHN-OAQYLSRUSA-N	1	0	385.616	4.990	1	5		GJBFRO
CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1cccc(I)c1)=CC2	ZINC000095561056	211277079	/nfs/dbraw/zinc/27/70/79/211277079.db2.gz	YWAJVPIHRWSFPL-WMZOPIPTSA-N	1	0	396.336	4.860	1	5		GJBFRO
C1=CCC[C@]23O[C@@H]4[C@@H]5[C@H]2[N@+]2(CC[C@@H]5[C@@]5(C2)CCC=CCCCCN4[C@@H]35)CCCC1	ZINC000255221344	717171121	/nfs/dbraw/zinc/17/11/21/717171121.db2.gz	JMHLAJDWOVXASI-FBZVPOGFSA-N	1	0	395.611	4.641	1	5		GJBFRO
CCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1	ZINC000001625027	209333975	/nfs/dbraw/zinc/33/39/75/209333975.db2.gz	AGKXEVPWSAEPDK-UHFFFAOYSA-O	1	0	377.464	4.688	1	5		GJBFRO
COc1cc2c[n+](C)c3c(ccc4cc(OC(C)C)c(OC)cc43)c2cc1OC	ZINC000001629538	209334128	/nfs/dbraw/zinc/33/41/28/209334128.db2.gz	FMWBRWXIGDBCDH-UHFFFAOYSA-N	1	0	392.475	4.784	1	5		GJBFRO
COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[N+](C)(Cc3ccccc3)CC1)C2	ZINC000013817946	204514329	/nfs/dbraw/zinc/51/43/29/204514329.db2.gz	MNJMLCSCGCADPC-DRMRFRMASA-N	1	0	394.535	4.506	1	5		GJBFRO
COc1cccc2c3nn(CC[NH+](C)C)c4cc5c(c(oc12)c43)C=CC(C)(C)O5	ZINC000026575944	210500316	/nfs/dbraw/zinc/50/03/16/210500316.db2.gz	SGOGJXXSYFPGJQ-UHFFFAOYSA-N	1	0	391.471	4.690	1	5		GJBFRO
COc1ccc2c(ccc3c4ccc(OC)cc4c(NCCC[NH+](C)C)nc23)c1	ZINC000013600430	210071427	/nfs/dbraw/zinc/07/14/27/210071427.db2.gz	SBECIMMSUOMQEU-UHFFFAOYSA-N	1	0	389.499	4.922	1	5		GJBFRO
COc1ccc2c(c1)CN1C(=[NH+]2)CS[C@@H]1c1cc([N+](=O)[O-])ccc1Cl	ZINC000001865073	209341806	/nfs/dbraw/zinc/34/18/06/209341806.db2.gz	XLTKGSJZLBPBBR-QGZVFWFLSA-N	1	0	375.837	4.548	1	5		GJBFRO
Cn1c2nc3ccccc3c-2c(N2CC[NH+](C)CC2)c2cc(C(F)(F)F)ccc21	ZINC000103172635	536417860	/nfs/dbraw/zinc/41/78/60/536417860.db2.gz	IMVRSMJBVJPRNH-UHFFFAOYSA-N	1	0	398.432	4.602	1	5		GJBFRO
COc1ccc(CN(C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)cc1	ZINC000028825406	717116341	/nfs/dbraw/zinc/11/63/41/717116341.db2.gz	FJEQHMBUGJOIRZ-TYABSZSSSA-N	1	0	395.523	4.608	1	5		GJBFRO
COc1cccc2c1CCC[C@H]2CCCN1CC[N+](C)(C2CCCCC2)CC1	ZINC000045287109	717129763	/nfs/dbraw/zinc/12/97/63/717129763.db2.gz	ZPUXWCCJGUMGJU-NRFANRHFSA-N	1	0	385.616	4.990	1	5		GJBFRO
Cc1cc(OCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl	ZINC000059720884	717131793	/nfs/dbraw/zinc/13/17/93/717131793.db2.gz	FPNPFLNJDWWHFR-UHFFFAOYSA-N	1	0	381.880	4.928	1	5		GJBFRO
CC[NH+](CC)CCCNc1nncc2c(C)c3[nH]c4ccc(OC)cc4c3cc21	ZINC000033917321	204968821	/nfs/dbraw/zinc/96/88/21/204968821.db2.gz	MDLJIACDWXEWDH-UHFFFAOYSA-N	1	0	391.519	4.725	1	5		GJBFRO
CCc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@@H](O)[C@H]2CCC[N@@H+]2C1	ZINC000066259905	211002136	/nfs/dbraw/zinc/00/21/36/211002136.db2.gz	HQLMQXGIZHMQJJ-YKSBVNFPSA-N	1	0	377.484	4.584	1	5		GJBFRO
COc1ccc2c(c1)CN1C(=[NH+]2)CS[C@H]1c1cc([N+](=O)[O-])ccc1Cl	ZINC000006019824	204161126	/nfs/dbraw/zinc/16/11/26/204161126.db2.gz	XLTKGSJZLBPBBR-KRWDZBQOSA-N	1	0	375.837	4.548	1	5		GJBFRO
COc1ccc2c(ccn2CCCCCOC(=O)c2cccc([N+](C)(C)C)c2)c1	ZINC000026996058	717113990	/nfs/dbraw/zinc/11/39/90/717113990.db2.gz	REFPWCGHYAJECZ-UHFFFAOYSA-N	1	0	395.523	4.874	1	5		GJBFRO
CC[N@@+](C)(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1	ZINC000253635846	717166269	/nfs/dbraw/zinc/16/62/69/717166269.db2.gz	GHBQNWUSTNMXSR-QHCPKHFHSA-O	1	0	391.333	4.536	1	5		GJBFRO
CC[N@@+]1(C)CC[C@@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1	ZINC000253690597	717168039	/nfs/dbraw/zinc/16/80/39/717168039.db2.gz	NAGNEDWJLLWFMD-LEEZEASISA-N	1	0	393.334	4.550	1	5		GJBFRO
COc1cccc2c1CCC[C@@H]2CCCN1CC[N+](C)(C2CCCCC2)CC1	ZINC000095536843	717138816	/nfs/dbraw/zinc/13/88/16/717138816.db2.gz	ZPUXWCCJGUMGJU-OAQYLSRUSA-N	1	0	385.616	4.990	1	5		GJBFRO
COc1cc2ccc3c4cc(OC)c(OC(C)C)cc4c[n+](C)c3c2cc1OC	ZINC000001629536	203916296	/nfs/dbraw/zinc/91/62/96/203916296.db2.gz	ZMYJZDMCXISLFB-UHFFFAOYSA-N	1	0	392.475	4.784	1	5		GJBFRO
Cc1ccsc1CN(C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1	ZINC000028825412	717116327	/nfs/dbraw/zinc/11/63/27/717116327.db2.gz	LCFLTSGKHHHXPL-YOFSQIOKSA-N	1	0	385.553	4.970	1	5		GJBFRO
Cc1ccsc1CN(C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1	ZINC000101152323	717144555	/nfs/dbraw/zinc/14/45/55/717144555.db2.gz	LCFLTSGKHHHXPL-ACDBMABISA-N	1	0	385.553	4.970	1	5		GJBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2	ZINC000101152079	717144653	/nfs/dbraw/zinc/14/46/53/717144653.db2.gz	LMDNOMYZUIYOBM-BCDXTJNWSA-N	1	0	377.555	4.723	1	5		GJBFRO
CC[NH+](CC)CCn1c2ccc([N+](=O)[O-])cc2nc1Cc1ccc(Cl)cc1	ZINC000004215423	209231555	/nfs/dbraw/zinc/23/15/55/209231555.db2.gz	GPZLDQAEBHTMPG-UHFFFAOYSA-N	1	0	386.883	4.531	1	5	in-man	GJBFRO
Cn1c2ccccc2c2c1nc1ccc(Cl)cc1c2N1CCC[N@H+](C)CC1	ZINC000084687223	205399678	/nfs/dbraw/zinc/39/96/78/205399678.db2.gz	BMOVADJLKMAVPB-UHFFFAOYSA-N	1	0	378.907	4.675	1	5		GJBFRO
CC[N+]1(C)CC[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1	ZINC000031852370	210568351	/nfs/dbraw/zinc/56/83/51/210568351.db2.gz	NAGNEDWJLLWFMD-MRBOTJLVSA-N	1	0	393.334	4.550	1	5		GJBFRO
CC[N@+](C)(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1	ZINC000253635843	717166348	/nfs/dbraw/zinc/16/63/48/717166348.db2.gz	GHBQNWUSTNMXSR-HSZRJFAPSA-O	1	0	391.333	4.536	1	5		GJBFRO
COc1ccc(CN(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)cc1	ZINC000101152111	717144594	/nfs/dbraw/zinc/14/45/94/717144594.db2.gz	FJEQHMBUGJOIRZ-SGRGSNTQSA-N	1	0	395.523	4.608	1	5		GJBFRO
COc1cccc(CN(C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)c1	ZINC000028825410	717116315	/nfs/dbraw/zinc/11/63/15/717116315.db2.gz	RLCOOYBGUNLNOM-TYABSZSSSA-N	1	0	395.523	4.608	1	5		GJBFRO
CCCC[N@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@H](O)C1	ZINC000095574556	208235187	/nfs/dbraw/zinc/23/51/87/208235187.db2.gz	UNIRICALLXCIJL-OAQYLSRUSA-N	1	0	395.499	4.668	1	5		GJBFRO
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)C[N@@H+]1CCC[C@H]1C3	ZINC000038796306	560086038	/nfs/dbraw/zinc/08/60/38/560086038.db2.gz	ZRGRTHUWZSWRSQ-AWEZNQCLSA-N	1	0	393.483	4.548	1	5	biogenic,in-vitro	GJBFRO
C[n+]1c2c(cc3cc(Br)ccc31)[nH]c1ccc(Br)cc12	ZINC000001494205	212247270	/nfs/dbraw/zinc/24/72/70/212247270.db2.gz	JXZJTCBXPUJTCV-UHFFFAOYSA-O	1	0	391.086	4.824	1	5		GJBFRO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[C@H]2CCCC[N@H+]2C1	ZINC000013378557	206262892	/nfs/dbraw/zinc/26/28/92/206262892.db2.gz	ANTGAFQZQJMDNP-OAHLLOKOSA-N	1	0	377.484	4.929	1	5		GJBFRO
CC[NH+](CC)CCNc1c2c(cc3oc4ccccc4c(=O)c31)OC(C)(C)C=C2	ZINC000029231228	207358944	/nfs/dbraw/zinc/35/89/44/207358944.db2.gz	IOLGSVQUUTWJAO-UHFFFAOYSA-N	1	0	392.499	4.884	1	5		GJBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2	ZINC000101152076	208386917	/nfs/dbraw/zinc/38/69/17/208386917.db2.gz	LMDNOMYZUIYOBM-PIIMJCKOSA-N	1	0	377.555	4.723	1	5		GJBFRO
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)CC[N@H+](C(C)C)C3	ZINC000072317695	222226395	/nfs/dbraw/zinc/22/63/95/222226395.db2.gz	YIPIINKKAYVXRA-UHFFFAOYSA-N	1	0	395.499	4.794	1	5		GJBFRO
COc1cccc(CN(C(=O)O[C@@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)c1	ZINC000101152035	717144616	/nfs/dbraw/zinc/14/46/16/717144616.db2.gz	RLCOOYBGUNLNOM-IUTQVRIDSA-N	1	0	395.523	4.608	1	5		GJBFRO
Cc1ccc(CN(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)s1	ZINC000101152348	717144936	/nfs/dbraw/zinc/14/49/36/717144936.db2.gz	NAXYIWZRBXAQKX-PMOLBWCYSA-N	1	0	385.553	4.970	1	5		GJBFRO
COc1ccc([N+]2=NC(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)C2)cc1	ZINC000005360686	206608294	/nfs/dbraw/zinc/60/82/94/206608294.db2.gz	BUGDHZQZYREZCQ-UHFFFAOYSA-N	1	0	388.407	4.539	1	5		GJBFRO
COc1cccc(CN(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)c1	ZINC000101152029	717144582	/nfs/dbraw/zinc/14/45/82/717144582.db2.gz	RLCOOYBGUNLNOM-SGRGSNTQSA-N	1	0	395.523	4.608	1	5		GJBFRO
Cc1ccsc1CN(C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1	ZINC000101152325	717144931	/nfs/dbraw/zinc/14/49/31/717144931.db2.gz	LCFLTSGKHHHXPL-PMOLBWCYSA-N	1	0	385.553	4.970	1	5		GJBFRO
CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(I)cc1)=CC2	ZINC000095558592	222354901	/nfs/dbraw/zinc/35/49/01/222354901.db2.gz	ZMWVXLZQPUFEFZ-WMZOPIPTSA-N	1	0	396.336	4.860	1	5		GJBFRO
C[NH+](C)CCN1C(=O)c2cccc3cc4ccc(-c5ccccc5)cc4c(c32)C1=O	ZINC000027555763	207327860	/nfs/dbraw/zinc/32/78/60/207327860.db2.gz	XGWPTXVPIVRWBR-UHFFFAOYSA-N	1	0	394.474	4.818	1	5		GJBFRO
Cc1ccc(CN(C(=O)O[C@@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)s1	ZINC000101152346	717144909	/nfs/dbraw/zinc/14/49/09/717144909.db2.gz	NAXYIWZRBXAQKX-ACDBMABISA-N	1	0	385.553	4.970	1	5		GJBFRO
C[NH+](C)CCCNC(=O)c1cccc2c3ccccc3c(-c3ccccc3)nc12	ZINC000027873967	221662537	/nfs/dbraw/zinc/66/25/37/221662537.db2.gz	JBMMHIJVUJREQY-UHFFFAOYSA-N	1	0	383.495	4.737	1	5		GJBFRO
C[N+]1(CCCCCCOc2cc(O)c3c(c2)oc2ccccc2c3=O)CCCC1	ZINC000299830139	717181343	/nfs/dbraw/zinc/18/13/43/717181343.db2.gz	NCQVSOHFXSNWGR-UHFFFAOYSA-O	1	0	396.507	4.831	1	5		GJBFRO
C[NH+](C)CCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3	ZINC000003797035	206494132	/nfs/dbraw/zinc/49/41/32/206494132.db2.gz	GFPMZWGDMXJVLR-UHFFFAOYSA-N	1	0	396.494	4.624	1	5		GJBFRO
CCc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@H](O)[C@@H]2CCC[N@@H+]2C1	ZINC000066259904	222139694	/nfs/dbraw/zinc/13/96/94/222139694.db2.gz	HQLMQXGIZHMQJJ-GBXCKJPGSA-N	1	0	377.484	4.584	1	5		GJBFRO
C[NH+](C)CCc1c2ncsc2c2c3c(c4ccccc4nc13)C=C[N+]2(C)[O-]	ZINC000238762373	717162673	/nfs/dbraw/zinc/16/26/73/717162673.db2.gz	PZBHLJBFNAFPFJ-UHFFFAOYSA-N	1	0	376.485	4.521	1	5		GJBFRO
COc1ccc2c(c1)CN1C(=[NH+]2)CS[C@@H]1c1c(Cl)cccc1[N+](=O)[O-]	ZINC000001865077	212259384	/nfs/dbraw/zinc/25/93/84/212259384.db2.gz	ZOURWWZPLJKIOU-QGZVFWFLSA-N	1	0	375.837	4.548	1	5		GJBFRO
COc1cc2c(c(OC)c1OC)[C@@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2	ZINC000036184621	207516598	/nfs/dbraw/zinc/51/65/98/207516598.db2.gz	XPGJMSLOJIEWIQ-OAQYLSRUSA-N	1	0	392.519	4.782	1	5		GJBFRO
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[N+](C)(Cc3ccccc3)CC1)C2	ZINC000013817949	221290701	/nfs/dbraw/zinc/29/07/01/221290701.db2.gz	MNJMLCSCGCADPC-WYBLULDQSA-N	1	0	394.535	4.506	1	5		GJBFRO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[C@@H]2CCCC[N@H+]2C1	ZINC000013378556	560215778	/nfs/dbraw/zinc/21/57/78/560215778.db2.gz	ANTGAFQZQJMDNP-HNNXBMFYSA-N	1	0	377.484	4.929	1	5	biogenic,in-vitro	GJBFRO
Cc1ccc(CN(C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)s1	ZINC000028825411	717116378	/nfs/dbraw/zinc/11/63/78/717116378.db2.gz	NAXYIWZRBXAQKX-YOFSQIOKSA-N	1	0	385.553	4.970	1	5		GJBFRO
CCOc1ccc2c3ccn4nc(C)c(C)cc4c-3[n+](C(=O)OC(C)(C)C)c2c1	ZINC000026577672	207316159	/nfs/dbraw/zinc/31/61/59/207316159.db2.gz	ZENLTJOWNWHMTI-UHFFFAOYSA-N	1	0	392.479	4.727	1	5		GJBFRO
CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)(C)[C@H]2N3C)cc1	ZINC000053230575	717130568	/nfs/dbraw/zinc/13/05/68/717130568.db2.gz	IZIGCHHIRHKMJQ-VWNXMTODSA-O	1	0	394.539	4.935	1	5		GJBFRO
COc1cccc2c1CCC[C@H]2CCC[N+]1(C)CCN(C2CCCCC2)CC1	ZINC000045319759	717130092	/nfs/dbraw/zinc/13/00/92/717130092.db2.gz	BGWHWCHPLYOFHN-NRFANRHFSA-N	1	0	385.616	4.990	1	5		GJBFRO
C[N+]1(CCn2cc(C(=O)c3cccc4ccccc43)c3ccccc32)CCOCC1	ZINC000013742580	717109591	/nfs/dbraw/zinc/10/95/91/717109591.db2.gz	FPWFPHBGBGFVQP-UHFFFAOYSA-N	1	0	399.514	4.502	1	5		GJBFRO
CC[N+](CC)(CC)Cc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c2c1	ZINC000103170625	717146129	/nfs/dbraw/zinc/14/61/29/717146129.db2.gz	OVJBBKKLANHHRH-UHFFFAOYSA-N	1	0	381.452	4.745	1	5		GJBFRO
CCOc1cc(CC[N+](C)(C)C)c2c(ccc3ccc(OC)c(OC)c32)c1OC	ZINC000001611790	206387078	/nfs/dbraw/zinc/38/70/78/206387078.db2.gz	SCJHPSUQLNIRMF-UHFFFAOYSA-N	1	0	398.523	4.666	1	5		GJBFRO
COc1ccc(CN(C(=O)O[C@@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)cc1	ZINC000101152116	717144576	/nfs/dbraw/zinc/14/45/76/717144576.db2.gz	FJEQHMBUGJOIRZ-IUTQVRIDSA-N	1	0	395.523	4.608	1	5		GJBFRO
Cc1c2[nH]c3ccc(O)c(OCC(F)(F)F)c3c2c(C)c2c[n+](C)ccc12	ZINC000001628729	206386678	/nfs/dbraw/zinc/38/66/78/206386678.db2.gz	ACIYKIGHVRYKTA-UHFFFAOYSA-O	1	0	375.370	4.562	1	5		GJBFRO
C=Cc1c2ccc3c4ccc(OC)c(OC)c4c[n+](C)c3c2cc(OC)c1OC	ZINC000095559056	208232234	/nfs/dbraw/zinc/23/22/34/208232234.db2.gz	GHHBDVPUCAUDIJ-UHFFFAOYSA-N	1	0	390.459	4.648	1	5		GJBFRO
CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)(C)[C@@H]2N3C)cc1	ZINC000053230573	717130366	/nfs/dbraw/zinc/13/03/66/717130366.db2.gz	IZIGCHHIRHKMJQ-UPVQGACJSA-O	1	0	394.539	4.935	1	5		GJBFRO
CC[NH+](CC)CCNc1nccc2c(C)c3c(cc21)c1cc(OC)ccc1n3C	ZINC000029545843	207364474	/nfs/dbraw/zinc/36/44/74/207364474.db2.gz	FIRFTJHDICWOJW-UHFFFAOYSA-N	1	0	390.531	4.950	1	5		GJBFRO
C[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1ccsc1)c1ccsc1)C2	ZINC000028825417	717116254	/nfs/dbraw/zinc/11/62/54/717116254.db2.gz	LMDNOMYZUIYOBM-JWTNVVGKSA-N	1	0	377.555	4.723	1	5		GJBFRO
COc1ccc2c(ccn2CCCCCOC(=O)c2ccc([N+](C)(C)C)cc2)c1	ZINC000027084436	717114760	/nfs/dbraw/zinc/11/47/60/717114760.db2.gz	TXZZABQYTUGDAL-UHFFFAOYSA-N	1	0	395.523	4.874	1	5		GJBFRO
CCCCCn1c2ccccc2c2cc(C(=O)N3CC[N+](C)(C)CC3)ccc21	ZINC000096938354	717141312	/nfs/dbraw/zinc/14/13/12/717141312.db2.gz	CKXYOBYMFRCWHF-UHFFFAOYSA-N	1	0	378.540	4.517	1	5		GJBFRO
CC[N@+]1(C)CC[C@@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1	ZINC000253690604	717167944	/nfs/dbraw/zinc/16/79/44/717167944.db2.gz	NAGNEDWJLLWFMD-XZDHIHRUSA-N	1	0	393.334	4.550	1	5		GJBFRO
CC[N+]1(C)CC[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1	ZINC000001635911	212252705	/nfs/dbraw/zinc/25/27/05/212252705.db2.gz	NAGNEDWJLLWFMD-IRJALKPHSA-N	1	0	393.334	4.550	1	5		GJBFRO
CC[NH+](CC)CCCNc1nncc2cc3c4cc(OC)ccc4[nH]c3c(C)c21	ZINC000001862639	206393912	/nfs/dbraw/zinc/39/39/12/206393912.db2.gz	IJOMQPXTLOZXNS-UHFFFAOYSA-N	1	0	391.519	4.725	1	5		GJBFRO
CCOc1cc2c3cc(O)ccc3c3c(c2cc1OCC)C[N@H+]1CCC[C@H]1[C@H]3O	ZINC000066259525	222139120	/nfs/dbraw/zinc/13/91/20/222139120.db2.gz	QPVURBGIVVOVFI-GBXCKJPGSA-N	1	0	393.483	4.507	1	5		GJBFRO
CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccccc1I)=CC2	ZINC000095562525	222355338	/nfs/dbraw/zinc/35/53/38/222355338.db2.gz	JEUMEOHFGKGIFC-IRXDYDNUSA-N	1	0	396.336	4.860	1	5		GJBFRO