smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)NC1=S	ZINC000409245646	534821127	/nfs/dbraw/zinc/82/11/27/534821127.db2.gz	WYQAKSDMEGNEIZ-GHRIWEEISA-N	0	1	388.448	4.086	40	10		GICBMN
C=C1N=C(SCCCC)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408987140	528730245	/nfs/dbraw/zinc/73/02/45/528730245.db2.gz	DQUNPMOWUFWNPQ-SFHVURJKSA-N	0	1	375.538	4.123	40	10		GICBMN
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](c1ccccc1)N1CCCC1	ZINC000035322732	570422558	/nfs/dbraw/zinc/42/25/58/570422558.db2.gz	UNZAHZWWMSFGAT-HSZRJFAPSA-N	0	1	377.532	4.130	40	10		GICBMN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc12	ZINC000059109567	570653948	/nfs/dbraw/zinc/65/39/48/570653948.db2.gz	GYINSSMTPBHVOC-XMHGGMMESA-N	0	1	392.455	4.033	40	10		GICBMN
Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(C)c1O	ZINC000038172330	821094666	/nfs/dbraw/zinc/09/46/66/821094666.db2.gz	YXXVWLIJRRGXTC-OVCLIPMQSA-N	0	1	386.860	4.334	40	10		GICBMN
CCc1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)C(=O)NC2=S)cc1	ZINC000038172659	821094804	/nfs/dbraw/zinc/09/48/04/821094804.db2.gz	BJLKWDJDGWGLFO-GZTJUZNOSA-N	0	1	375.453	4.402	40	10		GICBMN
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1C(C)C	ZINC000409228432	231182926	/nfs/dbraw/zinc/18/29/26/231182926.db2.gz	YTZWALGZFLODKR-WOJGMQOQSA-N	0	1	395.528	4.134	40	10		GICBMN
O=C(NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1cccs1	ZINC000409328608	231190177	/nfs/dbraw/zinc/19/01/77/231190177.db2.gz	YQOMPPNEDNNNCX-GHXNOFRVSA-N	0	1	398.893	4.087	40	10		GICBMN
Cc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000408848536	534575695	/nfs/dbraw/zinc/57/56/95/534575695.db2.gz	ZOXAJXZNCBVRAE-FMIVXFBMSA-N	0	1	391.279	4.133	40	10		GICBMN
Cc1ccc(Cl)cc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1	ZINC000034719606	570210043	/nfs/dbraw/zinc/21/00/43/570210043.db2.gz	WJJUEXNXIYPIBS-PDGQHHTCSA-N	0	1	378.815	4.370	40	10		GICBMN
O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1cccs1	ZINC000409348304	231194050	/nfs/dbraw/zinc/19/40/50/231194050.db2.gz	SKRAEGURHOAALJ-LFIBNONCSA-N	0	1	396.518	4.448	40	10		GICBMN
COc1ccccc1C1(O)CCN(Cc2cc(F)c(N3CCCC3)cc2C)CC1	ZINC000019567060	571008030	/nfs/dbraw/zinc/00/80/30/571008030.db2.gz	FFNMTRABRMYMPU-UHFFFAOYSA-N	0	1	398.522	4.227	40	10		GICBMN
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C(C)C	ZINC000409125776	231167071	/nfs/dbraw/zinc/16/70/71/231167071.db2.gz	FFAOMIDDSVNSAK-WOJGMQOQSA-N	0	1	395.528	4.134	40	10		GICBMN
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	ZINC000057690631	205160950	/nfs/dbraw/zinc/16/09/50/205160950.db2.gz	GSBIRGWAJWLMJK-UHFFFAOYSA-N	0	1	380.878	4.273	40	10		GICBMN
CCOc1ccc(N2C(=O)C(=Cc3cccn3C(C)(C)C)C(=O)NC2=S)cc1	ZINC000033313295	206097274	/nfs/dbraw/zinc/09/72/74/206097274.db2.gz	JRJQHYNMXBLGGZ-LGMDPLHJSA-N	0	1	397.500	4.313	40	10		GICBMN
COc1cc(N2N=C(C)C(=CNc3ccc4[nH]c(C)nc4c3)C2=O)ccc1Cl	ZINC000408536469	532961030	/nfs/dbraw/zinc/96/10/30/532961030.db2.gz	WOFUUSZOBCUXMQ-GDNBJRDFSA-N	0	1	395.850	4.252	40	10		GICBMN
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(C(=O)OC)cc1	ZINC000103918888	528066363	/nfs/dbraw/zinc/06/63/63/528066363.db2.gz	GBUDAXWZSXTDBR-HKWRFOASSA-N	0	1	377.444	4.362	40	10		GICBMN
Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(C)c1O	ZINC000038181542	821094606	/nfs/dbraw/zinc/09/46/06/821094606.db2.gz	BNASFPKKKDQQJH-OQLLNIDSSA-N	0	1	386.860	4.334	40	10		GICBMN
Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O	ZINC000408855897	231122933	/nfs/dbraw/zinc/12/29/33/231122933.db2.gz	GMLXZJOMYITSSS-FMIVXFBMSA-N	0	1	391.279	4.133	40	10		GICBMN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C([O-])=C[N+]#N)[C@@]4(C)CC[C@@H]32)C1	ZINC000004104881	204027551	/nfs/dbraw/zinc/02/75/51/204027551.db2.gz	VZJASVVRXMLTSG-MTMZYOSNSA-N	0	1	384.520	4.367	40	10	biogenic,in-vitro	GICBMN
COc1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000081217766	205386212	/nfs/dbraw/zinc/38/62/12/205386212.db2.gz	NNQTZTPWCCIXQZ-UHFFFAOYSA-N	0	1	381.453	4.035	40	10		GICBMN
Cc1ccccc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(=O)NC1=S	ZINC000005549147	204139055	/nfs/dbraw/zinc/13/90/55/204139055.db2.gz	LAVMQSXCEPUWDU-XFXZXTDPSA-N	0	1	391.279	4.133	40	10		GICBMN
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](c1ccccc1)N1CCCC1	ZINC000035322730	570422539	/nfs/dbraw/zinc/42/25/39/570422539.db2.gz	UNZAHZWWMSFGAT-QHCPKHFHSA-N	0	1	377.532	4.130	40	10		GICBMN
CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O	ZINC000005947739	570736648	/nfs/dbraw/zinc/73/66/48/570736648.db2.gz	AUBKTCKCAQSGSE-WOJGMQOQSA-N	0	1	391.402	4.151	40	10		GICBMN
Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Br)cn1	ZINC000013575885	570759518	/nfs/dbraw/zinc/75/95/18/570759518.db2.gz	XMBAEISXLNWFDL-ZROIWOOFSA-N	0	1	391.656	4.216	40	10		GICBMN
CN1CCN(c2ccc(CNC(=O)c3cc4c(ccc5ccccc45)o3)cc2)CC1	ZINC000218503115	536421082	/nfs/dbraw/zinc/42/10/82/536421082.db2.gz	ICEVYNAVIOJKLX-UHFFFAOYSA-N	0	1	399.494	4.268	40	10		GICBMN
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C	ZINC000103990351	570297321	/nfs/dbraw/zinc/29/73/21/570297321.db2.gz	MTNDRJLSBAYSAA-XDHOZWIPSA-N	0	1	392.846	4.346	40	10		GICBMN
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)NC2=S)cc1C	ZINC000059138553	570650764	/nfs/dbraw/zinc/65/07/64/570650764.db2.gz	KXICBMYDWFLBBZ-SFQUDFHCSA-N	0	1	395.484	4.168	40	10		GICBMN
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1	ZINC000409242140	529382828	/nfs/dbraw/zinc/38/28/28/529382828.db2.gz	MQMBFJHXJCUCDV-COYFKBPASA-N	0	1	394.496	4.004	40	10		GICBMN
Cc1csc([C@@H](Cc2cccs2)NCc2ccc(N3CCOCC3)cc2)n1	ZINC000019240082	207111277	/nfs/dbraw/zinc/11/12/77/207111277.db2.gz	HDIZMTNTANLJFV-HXUWFJFHSA-N	0	1	399.585	4.423	40	10		GICBMN
CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C1=O	ZINC000005947749	570737356	/nfs/dbraw/zinc/73/73/56/570737356.db2.gz	VHBBZWPINDNUSY-GZTJUZNOSA-N	0	1	391.402	4.151	40	10		GICBMN
CCOC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2C)cc1	ZINC000112121209	528226362	/nfs/dbraw/zinc/22/63/62/528226362.db2.gz	QYSIJKFAMFNDPA-UYRXBGFRSA-N	0	1	381.407	4.111	40	10		GICBMN
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1	ZINC000034387643	206257770	/nfs/dbraw/zinc/25/77/70/206257770.db2.gz	YBJUKZQNXOYFQK-MHWRWJLKSA-N	0	1	380.331	4.181	40	10		GICBMN
CCCC(=O)c1cc(O)c([O-])c(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)c1O	ZINC000001569520	206386248	/nfs/dbraw/zinc/38/62/48/206386248.db2.gz	XOFIUZJSOAYWSF-UHFFFAOYSA-N	0	1	393.867	4.086	40	10		GICBMN
Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000098063082	136188861	/nfs/dbraw/zinc/18/88/61/136188861.db2.gz	DYOYEHWFTUFVOH-FMIVXFBMSA-N	0	1	391.279	4.133	40	10		GICBMN
COc1ccc(C=CC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000001147712	536596682	/nfs/dbraw/zinc/59/66/82/536596682.db2.gz	WNYCYGDLSVIZMN-FKJKDRHESA-N	0	1	382.416	4.062	40	10		GICBMN
CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1O	ZINC000038173031	821094425	/nfs/dbraw/zinc/09/44/25/821094425.db2.gz	NZGSUXBKIGAUQJ-LFIBNONCSA-N	0	1	396.468	4.025	40	10		GICBMN
Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O	ZINC000409344501	231193937	/nfs/dbraw/zinc/19/39/37/231193937.db2.gz	JNUDNWJLWNRDBV-OQLLNIDSSA-N	0	1	399.522	4.084	40	10		GICBMN
COc1cc(N2CCOCC2)ccc1CNC1(c2ccccc2F)CCCC1	ZINC000019549989	207130038	/nfs/dbraw/zinc/13/00/38/207130038.db2.gz	VIIKJGFKOLCMIE-UHFFFAOYSA-N	0	1	384.495	4.230	40	10		GICBMN
Cn1cccc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O	ZINC000001161199	136196084	/nfs/dbraw/zinc/19/60/84/136196084.db2.gz	BAJQAUSPQIFVPY-CSKARUKUSA-N	0	1	380.256	4.004	40	10		GICBMN
CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1	ZINC000223658265	570477056	/nfs/dbraw/zinc/47/70/56/570477056.db2.gz	AQDIVGGXTHBFKF-UHFFFAOYSA-N	0	1	397.538	4.200	40	10		GICBMN
CN(C)c1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(F)cc(F)c2)cc1	ZINC000043277735	570626271	/nfs/dbraw/zinc/62/62/71/570626271.db2.gz	NYLCKXYAAPOCQQ-UHFFFAOYSA-N	0	1	384.474	4.320	40	10		GICBMN
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1c(O)ccc2ccccc21	ZINC000059135701	570650206	/nfs/dbraw/zinc/65/02/06/570650206.db2.gz	MRTVFKRSMBLURB-PTNGSMBKSA-N	0	1	392.411	4.356	40	10		GICBMN
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1	ZINC000059198482	570651725	/nfs/dbraw/zinc/65/17/25/570651725.db2.gz	VTOALLHYQDPUCJ-GXDHUFHOSA-N	0	1	387.258	4.121	40	10		GICBMN
CCCCCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1	ZINC000005003618	570652780	/nfs/dbraw/zinc/65/27/80/570652780.db2.gz	HJWLDXYEOZUPBN-FQEVSTJZSA-N	0	1	387.524	4.284	40	10		GICBMN
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21	ZINC000409372854	534785503	/nfs/dbraw/zinc/78/55/03/534785503.db2.gz	NHYOKHVPIKGUTC-FYJGNVAPSA-N	0	1	396.402	4.248	40	10		GICBMN
CCN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2O)SC1=S	ZINC000408725155	528943316	/nfs/dbraw/zinc/94/33/16/528943316.db2.gz	JOCWIYXNKHLWKI-WTKPLQERSA-N	0	1	378.700	4.029	40	10		GICBMN
NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3cc(Cl)ccc32)cc1	ZINC000005389939	570437110	/nfs/dbraw/zinc/43/71/10/570437110.db2.gz	RAXCZVLATPROIR-UHFFFAOYSA-N	0	1	383.860	4.432	40	10		GICBMN
CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C1=O	ZINC000005947680	570736763	/nfs/dbraw/zinc/73/67/63/570736763.db2.gz	HQUPIUWUXYBMBI-CXUHLZMHSA-N	0	1	385.851	4.378	40	10		GICBMN
CCOc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O	ZINC000013548899	570851869	/nfs/dbraw/zinc/85/18/69/570851869.db2.gz	XLKIBDYTLORBMH-UYRXBGFRSA-N	0	1	392.842	4.353	40	10		GICBMN
CCc1ccccc1N1C(=O)C(=Cc2cc(C)c(O)c(C)c2)C(=O)NC1=S	ZINC000038173097	821094542	/nfs/dbraw/zinc/09/45/42/821094542.db2.gz	BNUXFDQHNIAZQE-LFIBNONCSA-N	0	1	380.469	4.243	40	10		GICBMN
CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C	ZINC000409228363	231183151	/nfs/dbraw/zinc/18/31/51/231183151.db2.gz	XVTHEIKTWNWSIZ-XDHOZWIPSA-N	0	1	395.528	4.080	40	10		GICBMN
CC(C)c1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1	ZINC000225775679	570616434	/nfs/dbraw/zinc/61/64/34/570616434.db2.gz	NQUWVJQCQJWILY-UHFFFAOYSA-N	0	1	382.577	4.048	40	10		GICBMN
CCCCCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000005003617	570652701	/nfs/dbraw/zinc/65/27/01/570652701.db2.gz	HJWLDXYEOZUPBN-HXUWFJFHSA-N	0	1	387.524	4.284	40	10		GICBMN
CCOc1ccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)NC2=S)cc1	ZINC000038172390	821094470	/nfs/dbraw/zinc/09/44/70/821094470.db2.gz	JYMIXXXWTNINHW-GZTJUZNOSA-N	0	1	396.468	4.079	40	10		GICBMN
Cc1ccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)NC2=S)cc1C	ZINC000038188246	821094681	/nfs/dbraw/zinc/09/46/81/821094681.db2.gz	UHAQOCCCFIDCJN-LICLKQGHSA-N	0	1	380.469	4.297	40	10		GICBMN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C([O-])=C[N+]#N)[C@@]4(C)CC[C@H]32)C1	ZINC000004104880	290684012	/nfs/dbraw/zinc/68/40/12/290684012.db2.gz	VZJASVVRXMLTSG-UMDFJOQQSA-N	0	1	384.520	4.367	40	10	biogenic,in-vitro	GICBMN
Cc1sc2c(c1C)C(=O)N[C@H](c1cc(Br)cc(Cl)c1O)N2	ZINC000001106643	209301038	/nfs/dbraw/zinc/30/10/38/209301038.db2.gz	ZSJRZZXTEQTODE-LBPRGKRZSA-N	0	1	387.686	4.341	40	10		GICBMN
CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)NC2=S)cc1	ZINC000059138558	570650606	/nfs/dbraw/zinc/65/06/06/570650606.db2.gz	SXSWFXOXIRNHNZ-GHRIWEEISA-N	0	1	395.484	4.114	40	10		GICBMN
CCc1ccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)NC2=S)cc1	ZINC000038177197	821094867	/nfs/dbraw/zinc/09/48/67/821094867.db2.gz	NXINOCGQHPMQSS-GZTJUZNOSA-N	0	1	380.469	4.243	40	10		GICBMN
CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1	ZINC000000819223	209189686	/nfs/dbraw/zinc/18/96/86/209189686.db2.gz	BFPAKPFJQLFGRV-UHFFFAOYSA-N	0	1	386.923	4.306	40	10		GICBMN
Cc1cccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)NC2=S)c1C	ZINC000038182423	821094846	/nfs/dbraw/zinc/09/48/46/821094846.db2.gz	HKXVQKMBGHWOAF-MHWRWJLKSA-N	0	1	380.469	4.297	40	10		GICBMN
Cc1csc([C@H](Cc2cccs2)NCc2ccc(N3CCOCC3)cc2)n1	ZINC000019240083	210236407	/nfs/dbraw/zinc/23/64/07/210236407.db2.gz	HDIZMTNTANLJFV-FQEVSTJZSA-N	0	1	399.585	4.423	40	10		GICBMN
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1	ZINC000409242141	529191753	/nfs/dbraw/zinc/19/17/53/529191753.db2.gz	MQMBFJHXJCUCDV-VUODPORTSA-N	0	1	394.496	4.004	40	10		GICBMN
COc1ccccc1NC=C1C(=O)N(c2ccc(Br)cc2)N=C1C	ZINC000005433570	570662425	/nfs/dbraw/zinc/66/24/25/570662425.db2.gz	UHRRVFPLEHMKQE-PTNGSMBKSA-N	0	1	386.249	4.176	40	10		GICBMN
COc1ccccc1N=Cc1c(C)[nH]n(-c2ccc(Br)cc2)c1=O	ZINC000005433570	570662427	/nfs/dbraw/zinc/66/24/27/570662427.db2.gz	UHRRVFPLEHMKQE-PTNGSMBKSA-N	0	1	386.249	4.176	40	10		GICBMN
Cc1ccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)NC2=S)c(C)c1	ZINC000038171002	821094713	/nfs/dbraw/zinc/09/47/13/821094713.db2.gz	XSSGAJFTPPDDDZ-MHWRWJLKSA-N	0	1	380.469	4.297	40	10		GICBMN
CCc1ccc(N2C(=O)/C(=C/c3c(C)cc(C)cc3C)C(=O)NC2=S)cc1	ZINC000409376391	529662536	/nfs/dbraw/zinc/66/25/36/529662536.db2.gz	XVAMENSVMMJRRC-XDHOZWIPSA-N	0	1	378.497	4.006	40	10		GICBMN
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(N2CCCC2)cc1	ZINC000004106740	136196730	/nfs/dbraw/zinc/19/67/30/136196730.db2.gz	UFDHMUBFIDMWSN-DTQAZKPQSA-N	0	1	395.459	4.098	40	10		GICBMN
[O-]c1c([C@@H](c2ccccn2)[NH+]2CCN(c3ccccc3)CC2)ccc2cccnc21	ZINC000020192739	210322930	/nfs/dbraw/zinc/32/29/30/210322930.db2.gz	AYIKXKPLKBCPFA-DEOSSOPVSA-N	0	1	396.494	4.247	40	10		GICBMN
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1	ZINC000409214426	534789987	/nfs/dbraw/zinc/78/99/87/534789987.db2.gz	XKYKQAFOPLLQTC-VBKFSLOCSA-N	0	1	398.340	4.427	40	10		GICBMN
O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)N1	ZINC000058823031	570648644	/nfs/dbraw/zinc/64/86/44/570648644.db2.gz	VFDXGIDSGZDSGP-UHFFFAOYSA-N	0	1	391.210	4.162	40	10		GICBMN
Cc1ccccc1N1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)NC1=S	ZINC000059138124	570650671	/nfs/dbraw/zinc/65/06/71/570650671.db2.gz	ATHORYQAKMNVNV-DTQAZKPQSA-N	0	1	395.484	4.250	40	10		GICBMN
CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O	ZINC000005947722	570736843	/nfs/dbraw/zinc/73/68/43/570736843.db2.gz	NOKBXBMIMGUFFS-XNTDXEJSSA-N	0	1	385.851	4.378	40	10		GICBMN
CCOc1cccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)NC2=S)c1	ZINC000038180535	821094638	/nfs/dbraw/zinc/09/46/38/821094638.db2.gz	DGBSIHMPMNSAEE-LICLKQGHSA-N	0	1	396.468	4.079	40	10		GICBMN
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)cc1Cl	ZINC000409242181	231186389	/nfs/dbraw/zinc/18/63/89/231186389.db2.gz	NIEAHNARXOZTPY-YRNVUSSQSA-N	0	1	397.308	4.195	40	10		GICBMN
Cc1sc2c(c1C)C(=O)N[C@@H](c1cc(Br)cc(Cl)c1O)N2	ZINC000001106642	209300580	/nfs/dbraw/zinc/30/05/80/209300580.db2.gz	ZSJRZZXTEQTODE-GFCCVEGCSA-N	0	1	387.686	4.341	40	10		GICBMN
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1	ZINC000005749819	570734958	/nfs/dbraw/zinc/73/49/58/570734958.db2.gz	XDPMTIRXIXEQLR-GZTJUZNOSA-N	0	1	382.778	4.201	40	10		GICBMN
CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O	ZINC000409255451	529387181	/nfs/dbraw/zinc/38/71/81/529387181.db2.gz	ZWFJWSKAVLXUOW-OVGFGYAMSA-N	0	1	394.496	4.004	40	10		GICBMN
CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1	ZINC000216927551	136203118	/nfs/dbraw/zinc/20/31/18/136203118.db2.gz	YZMGVMADBYMYDH-NTEUORMPSA-N	0	1	391.559	4.066	40	10		GICBMN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C([O-])=C[N+]#N)[C@@]4(C)CC[C@@H]32)C1	ZINC000004104883	560197051	/nfs/dbraw/zinc/19/70/51/560197051.db2.gz	VZJASVVRXMLTSG-RTUCGJEGSA-N	0	1	384.520	4.367	40	10	biogenic,in-vitro	GICBMN
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)NC2=S)c(C)c1	ZINC000059138549	230941599	/nfs/dbraw/zinc/94/15/99/230941599.db2.gz	MQXCCPHIPVLFDU-FOWTUZBSSA-N	0	1	395.484	4.168	40	10		GICBMN
CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O	ZINC000409240366	231185854	/nfs/dbraw/zinc/18/58/54/231185854.db2.gz	GWCAQYSFBVKYLL-QGOAFFKASA-N	0	1	394.496	4.040	40	10		GICBMN
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Cl)s2)C(=O)NC1=S	ZINC000409107956	231162510	/nfs/dbraw/zinc/16/25/10/231162510.db2.gz	YVOUGYSPRHBRDU-JXMROGBWSA-N	0	1	397.308	4.195	40	10		GICBMN
C[NH+](C)Cc1cc(Cl)cc(Cc2cc(Cl)cc(C[NH+](C)C)c2[O-])c1[O-]	ZINC000001671245	212254641	/nfs/dbraw/zinc/25/46/41/212254641.db2.gz	REEOIFCSJWJBJO-UHFFFAOYSA-N	0	1	383.319	4.119	40	10		GICBMN
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1	ZINC000409194800	534784850	/nfs/dbraw/zinc/78/48/50/534784850.db2.gz	MPJJKPOETOZGLT-WJDWOHSUSA-N	0	1	384.819	4.004	40	10		GICBMN
CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O	ZINC000409255452	529197465	/nfs/dbraw/zinc/19/74/65/529197465.db2.gz	ZWFJWSKAVLXUOW-XOAFGZPJSA-N	0	1	394.496	4.004	40	10		GICBMN
CC(C)Oc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1	ZINC000059135955	570650259	/nfs/dbraw/zinc/65/02/59/570650259.db2.gz	JIIMALXZHGTUKI-RVDMUPIBSA-N	0	1	384.432	4.285	40	10		GICBMN
Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1Cl	ZINC000033709373	821059155	/nfs/dbraw/zinc/05/91/55/821059155.db2.gz	AAVKHOKPYOUKQQ-ATVHPVEESA-N	0	1	378.815	4.370	40	10		GICBMN
COc1cc(-n2[nH]c(C)c(C=Nc3ccc(Cl)cn3)c2=O)ccc1Cl	ZINC000408536803	532959943	/nfs/dbraw/zinc/95/99/43/532959943.db2.gz	YFAJIJYIFLQSGV-LCYFTJDESA-N	0	1	377.231	4.116	40	10		GICBMN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C([O-])=C[N+]#N)[C@@]4(C)CC[C@H]32)C1	ZINC000004104882	560197048	/nfs/dbraw/zinc/19/70/48/560197048.db2.gz	VZJASVVRXMLTSG-DRNGZOKYSA-N	0	1	384.520	4.367	40	10	biogenic,in-vitro	GICBMN
CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	ZINC000223650094	570476735	/nfs/dbraw/zinc/47/67/35/570476735.db2.gz	PWCWETACTMBGPS-UHFFFAOYSA-N	0	1	383.494	4.440	40	10		GICBMN
Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000408993139	570691571	/nfs/dbraw/zinc/69/15/71/570691571.db2.gz	CHZAHWJKVSPXDL-JXMROGBWSA-N	0	1	397.308	4.195	40	10		GICBMN
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	ZINC000409239156	528369210	/nfs/dbraw/zinc/36/92/10/528369210.db2.gz	GRXXXOSBFUYMJA-CPNJWEJPSA-N	0	1	394.496	4.040	40	10		GICBMN
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1	ZINC000059138018	570650732	/nfs/dbraw/zinc/65/07/32/570650732.db2.gz	MHPQQOZZZVRAAS-GHRIWEEISA-N	0	1	395.484	4.250	40	10		GICBMN
c1coc(CN(Cc2ccncc2)C2CCN(c3ccc4c(c3)OCO4)CC2)c1	ZINC000019342299	570976975	/nfs/dbraw/zinc/97/69/75/570976975.db2.gz	BZLGMUGGJGZOIB-UHFFFAOYSA-N	0	1	391.471	4.075	40	10		GICBMN
Cc1cc(C)cc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)NC2=S)c1	ZINC000038177984	821094579	/nfs/dbraw/zinc/09/45/79/821094579.db2.gz	QEHMOBDVVBXDSB-LICLKQGHSA-N	0	1	380.469	4.297	40	10		GICBMN
Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1C1CCCCC1	ZINC000409194548	231177690	/nfs/dbraw/zinc/17/76/90/231177690.db2.gz	MYIXBCHNSCGITO-UYRXBGFRSA-N	0	1	383.492	4.015	40	10		GICBMN
CC[NH+](CC)c1ccc(NC2=NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000006869750	220973325	/nfs/dbraw/zinc/97/33/25/220973325.db2.gz	ZAGCPVIKIPTHMV-AQTBWJFISA-N	0	1	395.484	4.313	40	10		GICBMN
[O-]c1c([C@H](c2ccccn2)[NH+]2CCN(c3ccccc3)CC2)ccc2cccnc21	ZINC000020192738	570246684	/nfs/dbraw/zinc/24/66/84/570246684.db2.gz	AYIKXKPLKBCPFA-XMMPIXPASA-N	0	1	396.494	4.247	40	10		GICBMN
Cc1cccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)NC2=S)c1C	ZINC000059138551	570650674	/nfs/dbraw/zinc/65/06/74/570650674.db2.gz	GAMDQZPPENGJFT-FOWTUZBSSA-N	0	1	395.484	4.168	40	10		GICBMN
COc1ccccc1C1(NCc2ccc(N3CCOCC3)cc2OC)CCCC1	ZINC000012292846	221176138	/nfs/dbraw/zinc/17/61/38/221176138.db2.gz	NCQIGOCWWWCXOS-UHFFFAOYSA-N	0	1	396.531	4.100	40	10		GICBMN
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)cc1	ZINC000409231167	528108208	/nfs/dbraw/zinc/10/82/08/528108208.db2.gz	IBPPMZLFLWBOSI-NTEUORMPSA-N	0	1	390.917	4.356	40	10		GICBMN
C=C1N=C(SCCCC)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408987139	528729983	/nfs/dbraw/zinc/72/99/83/528729983.db2.gz	DQUNPMOWUFWNPQ-GOSISDBHSA-N	0	1	375.538	4.123	40	10		GICBMN
CCOc1ccc(/C=C2\SC(=S)N(CN3CCCCCC3)C2=O)cc1	ZINC000059488426	570658228	/nfs/dbraw/zinc/65/82/28/570658228.db2.gz	NSLQBCNYXDFJER-LGMDPLHJSA-N	0	1	376.547	4.120	40	10		GICBMN