smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(/C=N/NC(=S)N/N=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000004653835	204152227	/nfs/dbraw/zinc/15/22/27/204152227.db2.gz	DWUXJRFSJJUZET-VNIJRHKQSA-N	-2	0	370.390	1.915	50	30		FDEARL
CC(=O)[N-]S(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000004699447	204156339	/nfs/dbraw/zinc/15/63/39/204156339.db2.gz	JIHZZXGMRJVDPB-CXUHLZMHSA-N	-2	0	363.351	1.876	50	30		FDEARL
Cc1ccccc1S(=O)(=O)[N-]C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000005815875	204225892	/nfs/dbraw/zinc/22/58/92/204225892.db2.gz	ZRIXMRNZDNXRIH-UHFFFAOYSA-N	-2	0	368.436	1.885	50	30		FDEARL
C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-]C	ZINC000097941893	525197159	/nfs/dbraw/zinc/19/71/59/525197159.db2.gz	MGXSKBMITBJJSC-UHFFFAOYSA-N	-2	0	366.155	1.655	50	30		FDEARL
C/C(=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1c([O-])cc(C)oc1=O	ZINC000102336757	525283496	/nfs/dbraw/zinc/28/34/96/525283496.db2.gz	YOLXDPLZWVVIOG-OQLLNIDSSA-N	-2	0	367.339	1.265	50	30		FDEARL
O=C1[N-]C(=O)C(=NNc2ccc3ccccc3c2S(=O)(=O)[O-])C(=O)N1	ZINC000013941873	518669741	/nfs/dbraw/zinc/66/97/41/518669741.db2.gz	KRGVLUFQTSDTCZ-UHFFFAOYSA-N	-2	0	362.323	1.061	50	30		FDEARL
[O-]c1c(Br)cc(Br)cc1CN=Nc1nnn[n-]1	ZINC000101898414	222287389	/nfs/dbraw/zinc/28/73/89/222287389.db2.gz	FXNAZQUHZWNLPM-JYOAFUTRSA-N	-2	0	361.985	1.876	50	30		FDEARL
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OCC)c2)C1=O	ZINC000004954212	518321953	/nfs/dbraw/zinc/32/19/53/518321953.db2.gz	VROUTNDTGJSDQT-WQLSENKSSA-N	-2	0	374.349	1.197	50	30		FDEARL
O=C([O-])c1cc(Br)ccc1NN=C1C(=O)[N-]C(=S)NC1=O	ZINC000016996459	220200901	/nfs/dbraw/zinc/20/09/01/220200901.db2.gz	CFEQTIWNFYFQHI-UHFFFAOYSA-N	-2	0	371.172	1.286	50	30		FDEARL
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(OCC)c2)C1=O	ZINC000015009325	220141676	/nfs/dbraw/zinc/14/16/76/220141676.db2.gz	VROUTNDTGJSDQT-XYOKQWHBSA-N	-2	0	374.349	1.197	50	30		FDEARL
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000001185696	219386738	/nfs/dbraw/zinc/38/67/38/219386738.db2.gz	ZCVXSBBYFCETJK-IFRROFPPSA-N	-2	0	353.338	1.964	50	30		FDEARL
O=c1nc2nc(NN=Cc3ccc(Cl)cc3Cl)[n-]nc-2c(=O)[n-]1	ZINC000003909449	204115866	/nfs/dbraw/zinc/11/58/66/204115866.db2.gz	CEGROQMNTDDAII-SYZQJQIISA-N	-2	0	352.141	1.154	50	30		FDEARL
CCOc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)cc([N+](=O)[O-])c1[O-]	ZINC000008717598	518482729	/nfs/dbraw/zinc/48/27/29/518482729.db2.gz	CQNREQVZJAVBMQ-MKMNVTDBSA-N	-2	0	351.344	1.504	50	30		FDEARL
O=c1nc(N/N=C/c2cc([N+](=O)[O-])ccc2[O-])[n-]nc1Cc1ccccc1	ZINC000006663978	207153295	/nfs/dbraw/zinc/15/32/95/207153295.db2.gz	NPZKVQFWWSUGFO-VCHYOVAHSA-N	-2	0	366.337	1.816	50	30		FDEARL
CCOc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)cc([N+](=O)[O-])c1[O-]	ZINC000334159315	676783133	/nfs/dbraw/zinc/78/31/33/676783133.db2.gz	CQNREQVZJAVBMQ-UHFFFAOYSA-N	-2	0	351.344	1.130	50	30		FDEARL
Cn1c2ccccc2c([O-])c(C(=NCc2ccccc2)c2nn[nH]n2)c1=O	ZINC000103722185	222342474	/nfs/dbraw/zinc/34/24/74/222342474.db2.gz	ZKFUFKYHQTWKFX-CAPFRKAQSA-N	-2	0	360.377	1.795	50	30		FDEARL
CCCCNC(=O)[N-]S(=O)(=O)c1c2ccccc2n(C)c1C(=O)[O-]	ZINC000071770029	221374288	/nfs/dbraw/zinc/37/42/88/221374288.db2.gz	IAVSQWKWGYHOIN-UHFFFAOYSA-N	-2	0	353.400	1.869	50	30		FDEARL
C=CCOc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1OCC	ZINC000055575795	210068715	/nfs/dbraw/zinc/06/87/15/210068715.db2.gz	NHCYARIVWSERCL-LBPRGKRZSA-N	-2	0	351.355	1.698	50	30		FDEARL
Cn1c2ccccc2c([O-])c(C(=NCc2ccccc2)c2nn[nH]n2)c1=O	ZINC000103977386	570855054	/nfs/dbraw/zinc/85/50/54/570855054.db2.gz	ZKFUFKYHQTWKFX-SILNSSARSA-N	-2	0	360.377	1.795	50	30		FDEARL
Cc1cc(-c2n[n-]c(=S)n2N=Cc2ccccc2OCC(=O)[O-])n[nH]1	ZINC000005886231	210646205	/nfs/dbraw/zinc/64/62/05/210646205.db2.gz	VLIWVVDZZHEIKY-FRKPEAEDSA-N	-2	0	358.383	1.985	50	30		FDEARL
CC([O-])=Nc1ccc(S(=O)(=O)Nc2cccn(CC(=O)[O-])c2=O)cc1	ZINC000328590601	571083011	/nfs/dbraw/zinc/08/30/11/571083011.db2.gz	ALPYXDMIQMPHBV-UHFFFAOYSA-N	-2	0	365.367	1.342	50	30		FDEARL
Cc1ccc(S(=O)(=O)[N-]NC(=O)c2c([O-])c3ccccc3[nH]c2=O)cc1	ZINC000009046071	210814721	/nfs/dbraw/zinc/81/47/21/210814721.db2.gz	LKJQOIXFQMUAMR-UHFFFAOYSA-N	-2	0	373.390	1.740	50	30		FDEARL
O=C([O-])c1cc(Br)ccc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000002222353	263145076	/nfs/dbraw/zinc/14/50/76/263145076.db2.gz	YJXNWFNVXFGCLI-UHFFFAOYSA-N	-2	0	355.104	1.122	50	30		FDEARL
NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccc(C(=O)[O-])cc2)c1=O	ZINC000100507717	222247048	/nfs/dbraw/zinc/24/70/48/222247048.db2.gz	BRTXJIKBDDFUCX-XSFVSMFZSA-N	-2	0	367.390	1.643	50	30		FDEARL