smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc(N=N[C@H]2C(C)=NN(c3ccccc3)C2=O)cc1	ZINC000104091005	563562092	/nfs/dbraw/zinc/56/20/92/563562092.db2.gz	VQNLDKMJLAFONL-SKQREZPOSA-N	0	2	320.352	3.764	40	10		DHCBLN
CCOC(O)=C1SC(c2ccc(Cl)cc2Cl)=NC1=O	ZINC000100319440	563914201	/nfs/dbraw/zinc/91/42/01/563914201.db2.gz	UFWAHAQBZHNURX-FMIVXFBMSA-N	0	2	318.181	3.777	40	10		DHCBLN
CCCc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccnc1	ZINC000112109391	256585221	/nfs/dbraw/zinc/58/52/21/256585221.db2.gz	VPJYKPVMPQMOLY-JXAWBTAJSA-N	0	2	320.396	3.970	40	10		DHCBLN
CCCC1=NN(c2ccccc2)C(=O)C1C(C)=Nc1cccnc1	ZINC000112109391	256585223	/nfs/dbraw/zinc/58/52/23/256585223.db2.gz	VPJYKPVMPQMOLY-JXAWBTAJSA-N	0	2	320.396	3.970	40	10		DHCBLN
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccnc1	ZINC000112109391	256585225	/nfs/dbraw/zinc/58/52/25/256585225.db2.gz	VPJYKPVMPQMOLY-JXAWBTAJSA-N	0	2	320.396	3.970	40	10		DHCBLN
Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000059106205	257217180	/nfs/dbraw/zinc/21/71/80/257217180.db2.gz	OWSRKPFMQOUSTH-XNTDXEJSSA-N	0	2	324.311	3.641	40	10		DHCBLN
Cc1cccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000059135076	257217302	/nfs/dbraw/zinc/21/73/02/257217302.db2.gz	FUXGAPPARNERSG-XNTDXEJSSA-N	0	2	324.311	3.641	40	10		DHCBLN
Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1nc2ccccc2o1	ZINC000016607871	182053548	/nfs/dbraw/zinc/05/35/48/182053548.db2.gz	COGYCYPMKXHISQ-HNNXBMFYSA-N	0	2	323.377	3.711	40	10		DHCBLN
COC(=O)c1sc2c(cnc3cc(Cl)c(OC)cc23)c1O	ZINC000064874614	257128826	/nfs/dbraw/zinc/12/88/26/257128826.db2.gz	WKLPRASJVUPCFY-UHFFFAOYSA-N	0	2	323.757	3.604	40	10		DHCBLN
CCCCc1ccc(C(O)=C2C(=O)c3ccccc3C2=O)cc1	ZINC000105628503	563637821	/nfs/dbraw/zinc/63/78/21/563637821.db2.gz	HHSWRXALWYMVPX-UHFFFAOYSA-N	0	2	306.361	3.907	40	10		DHCBLN
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccccc1	ZINC000003065301	563941906	/nfs/dbraw/zinc/94/19/06/563941906.db2.gz	AWNIIYIQMZGLMO-UHFFFAOYSA-N	0	2	316.407	3.611	40	10		DHCBLN
Oc1c(Cl)cc(Cl)cc1CNc1ccc2nn[nH]c2c1	ZINC000036422274	563927253	/nfs/dbraw/zinc/92/72/53/563927253.db2.gz	QEHVTUCLCBXQIC-UHFFFAOYSA-N	0	2	309.156	3.582	40	10		DHCBLN
CCOC(O)=C1SC(c2ccc(Cl)cc2Cl)=NC1=O	ZINC000100328419	563778508	/nfs/dbraw/zinc/77/85/08/563778508.db2.gz	UFWAHAQBZHNURX-XFXZXTDPSA-N	0	2	318.181	3.777	40	10		DHCBLN
COC(=O)c1sc2c(cnc3c(OC)ccc(Cl)c23)c1O	ZINC000064874721	257127871	/nfs/dbraw/zinc/12/78/71/257127871.db2.gz	GUPXBNWPCUIVDJ-UHFFFAOYSA-N	0	2	323.757	3.604	40	10		DHCBLN
Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1nc2ccccc2o1	ZINC000100988545	563555420	/nfs/dbraw/zinc/55/54/20/563555420.db2.gz	COGYCYPMKXHISQ-OAHLLOKOSA-N	0	2	323.377	3.711	40	10		DHCBLN
C[C@@H](NC(=O)c1cccnc1)c1ccc(N2CCCCC2)cc1	ZINC000225431100	201707299	/nfs/dbraw/zinc/70/72/99/201707299.db2.gz	LSMJHVDECHIFJU-OAHLLOKOSA-N	0	2	309.413	3.563	40	10		DHCBLN
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1O	ZINC000100929722	563554181	/nfs/dbraw/zinc/55/41/81/563554181.db2.gz	CRIAPAQJXSBRAC-WJDWOHSUSA-N	0	2	321.380	3.728	40	10		DHCBLN
Cc1oc2c(O)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1	ZINC000005730176	181277932	/nfs/dbraw/zinc/27/79/32/181277932.db2.gz	RNAXLLWSKZYSFR-UHFFFAOYSA-N	0	2	302.713	3.833	40	10		DHCBLN
CC(=O)c1ccc(N=N[C@@H]2C(C)=NN(c3ccccc3)C2=O)cc1	ZINC000104091000	563562236	/nfs/dbraw/zinc/56/22/36/563562236.db2.gz	VQNLDKMJLAFONL-FTHOYRMOSA-N	0	2	320.352	3.764	40	10		DHCBLN
CC(=O)c1ccc(N=N[C@H]2C(C)=NN(c3ccccc3)C2=O)cc1	ZINC000104091010	563562043	/nfs/dbraw/zinc/56/20/43/563562043.db2.gz	VQNLDKMJLAFONL-NRTINQSCSA-N	0	2	320.352	3.764	40	10		DHCBLN
CC(=O)c1ccc(N=N[C@@H]2C(C)=NN(c3ccccc3)C2=O)cc1	ZINC000104091002	193981158	/nfs/dbraw/zinc/98/11/58/193981158.db2.gz	VQNLDKMJLAFONL-NHKNDPDJSA-N	0	2	320.352	3.764	40	10		DHCBLN