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-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	ZINC000229951188	201856250	/nfs/dbraw/zinc/85/62/50/201856250.db2.gz	SLSSOGBNYLVCRS-RKVPGOIHSA-N	-1	0	309.340	4.350	50	10		DICARM
Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1	ZINC000003296185	181001716	/nfs/dbraw/zinc/00/17/16/181001716.db2.gz	QGMMKDKKMSXALL-UHFFFAOYSA-N	-1	0	305.377	4.470	50	10		DICARM
O=C([O-])c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000004172147	181081522	/nfs/dbraw/zinc/08/15/22/181081522.db2.gz	MLMWCBTXCKPKTH-KEYYUXOJSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1	ZINC000004298454	181094308	/nfs/dbraw/zinc/09/43/08/181094308.db2.gz	MLMWCBTXCKPKTH-VBQJREDUSA-N	-1	0	309.340	4.350	50	10		DICARM
Cc1nn(C)c(C)c1NN=C1c2ccccc2C=C(C(=O)[O-])C1=O	ZINC000004713616	181141082	/nfs/dbraw/zinc/14/10/82/181141082.db2.gz	ZQJYXQKNBMLWLS-VHEBQXMUSA-N	-1	0	324.340	4.009	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000043875570	183388453	/nfs/dbraw/zinc/38/84/53/183388453.db2.gz	JVLADMZUXQWDJT-RVKKMQEKSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	ZINC000013450197	563381894	/nfs/dbraw/zinc/38/18/94/563381894.db2.gz	HNGWMZYTSLWJBN-QFSBIZTOSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccc(F)cc1	ZINC000000094888	563528287	/nfs/dbraw/zinc/52/82/87/563528287.db2.gz	BKIIYNRNITXFAN-UHFFFAOYSA-N	-1	0	315.369	4.362	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000101516567	563557797	/nfs/dbraw/zinc/55/77/97/563557797.db2.gz	PDUSGAKEVBOUMA-MJWGMMHASA-N	-1	0	312.760	4.215	50	10		DICARM
O=C([O-])[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	ZINC000000179766	563575689	/nfs/dbraw/zinc/57/56/89/563575689.db2.gz	JHGJAWDFYUSZLM-RVKKMQEKSA-N	-1	0	307.349	4.017	50	10		DICARM
COc1ccccc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@H]21	ZINC000013389158	181847932	/nfs/dbraw/zinc/84/79/32/181847932.db2.gz	MPBOJZCDSRXYFC-PJIJBLCYSA-N	-1	0	321.376	4.220	50	10		DICARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(OCc2ccccc2)cc1	ZINC000020285435	182203247	/nfs/dbraw/zinc/20/32/47/182203247.db2.gz	VVBAOUFPPUYTDI-UHFFFAOYSA-N	-1	0	321.376	4.371	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1Cl	ZINC000101184459	193809274	/nfs/dbraw/zinc/80/92/74/193809274.db2.gz	YYKCUFRKHHBXON-AMGRQBIBSA-N	-1	0	312.760	4.215	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000101516561	193814677	/nfs/dbraw/zinc/81/46/77/193814677.db2.gz	PDUSGAKEVBOUMA-AMGRQBIBSA-N	-1	0	312.760	4.215	50	10		DICARM
Cn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000000454917	563257029	/nfs/dbraw/zinc/25/70/29/563257029.db2.gz	ODCMQLMMQWPSIZ-UHFFFAOYSA-N	-1	0	322.195	4.198	50	10		DICARM
O=C([O-])c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000001461950	563284070	/nfs/dbraw/zinc/28/40/70/563284070.db2.gz	QZGKQUSGJHPTPW-RLFYNMQTSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000002578386	563309683	/nfs/dbraw/zinc/30/96/83/563309683.db2.gz	QZGKQUSGJHPTPW-VKJFTORMSA-N	-1	0	309.340	4.350	50	10		DICARM
COc1ccc2c(c1)oc(=O)cc2-c1sc2ccccc2c1[O-]	ZINC000012973938	563375819	/nfs/dbraw/zinc/37/58/19/563375819.db2.gz	RKRPFFFGZBRJOS-UHFFFAOYSA-N	-1	0	324.357	4.389	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1Cl	ZINC000100148641	563547066	/nfs/dbraw/zinc/54/70/66/563547066.db2.gz	JUTILJRCPUCLTP-SDNWHVSQSA-N	-1	0	311.772	4.059	50	10		DICARM
O=C([O-])c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	ZINC000004333651	181099156	/nfs/dbraw/zinc/09/91/56/181099156.db2.gz	DQMLXAJMYIWCKH-JJRVBVJISA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	ZINC000001107682	563789100	/nfs/dbraw/zinc/78/91/00/563789100.db2.gz	SLSSOGBNYLVCRS-RVKKMQEKSA-N	-1	0	309.340	4.350	50	10		DICARM
Cc1noc(C)c1N=Nc1ccc(Br)cc1C(=O)[O-]	ZINC000253995131	1049582848	/nfs/dbraw/zinc/58/28/48/1049582848.db2.gz	QSFIEXIXAROJPM-UHFFFAOYSA-N	-1	0	324.134	4.168	50	10		DICARM
O=C([O-])[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@@H]21	ZINC000004132234	181077117	/nfs/dbraw/zinc/07/71/17/181077117.db2.gz	JHGJAWDFYUSZLM-RLFYNMQTSA-N	-1	0	307.349	4.017	50	10		DICARM
COc1ccccc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000004140409	181078154	/nfs/dbraw/zinc/07/81/54/181078154.db2.gz	MPBOJZCDSRXYFC-CKFHNAJUSA-N	-1	0	321.376	4.220	50	10		DICARM
O=C([O-])c1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1	ZINC000004298453	181094125	/nfs/dbraw/zinc/09/41/25/181094125.db2.gz	MLMWCBTXCKPKTH-JJRVBVJISA-N	-1	0	309.340	4.350	50	10		DICARM
[O-]c1c(Cl)cc(Cl)cc1CNc1cccc2c[nH]nc21	ZINC000004626559	181130631	/nfs/dbraw/zinc/13/06/31/181130631.db2.gz	DKWZIPPWEKCIBM-UHFFFAOYSA-N	-1	0	308.168	4.187	50	10		DICARM
O=C([O-])[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@H]21	ZINC000004827821	181158219	/nfs/dbraw/zinc/15/82/19/181158219.db2.gz	QPPYVZSFUYPJIJ-WGDKSQQYSA-N	-1	0	318.587	4.185	50	10		DICARM
COc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000100478047	563550908	/nfs/dbraw/zinc/55/09/08/563550908.db2.gz	SBNTXAIGPHOYFZ-VHEBQXMUSA-N	-1	0	308.341	4.310	50	10		DICARM
COc1ccccc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@@H]21	ZINC000004172117	181081475	/nfs/dbraw/zinc/08/14/75/181081475.db2.gz	MPBOJZCDSRXYFC-BIENJYKASA-N	-1	0	321.376	4.220	50	10		DICARM
O=C([O-])[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@H]21	ZINC000004827818	181157888	/nfs/dbraw/zinc/15/78/88/181157888.db2.gz	QPPYVZSFUYPJIJ-WHHMAUIRSA-N	-1	0	318.587	4.185	50	10		DICARM
CC(C)[C@@H]1Nc2c([O-])cc(Cl)c([N+](=O)[O-])c2[C@H]2C=CC[C@H]21	ZINC000019787343	182148461	/nfs/dbraw/zinc/14/84/61/182148461.db2.gz	BHMAAIAPZUZRTC-RWEMILLDSA-N	-1	0	308.765	4.064	50	10		DICARM
O=C([O-])c1cc(NN=C2Sc3ccccc3C2=O)ccc1O	ZINC000020120430	182188887	/nfs/dbraw/zinc/18/88/87/182188887.db2.gz	HTUWNZUGHBEZMU-WUKNDPDISA-N	-1	0	314.322	4.426	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(Cl)c1	ZINC000102268854	563558992	/nfs/dbraw/zinc/55/89/92/563558992.db2.gz	HTFLYSCICSWITG-MJWGMMHASA-N	-1	0	312.760	4.215	50	10		DICARM
COc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000000095943	180690626	/nfs/dbraw/zinc/69/06/26/180690626.db2.gz	HPWLREPNWJIKFD-UHFFFAOYSA-N	-1	0	321.376	4.170	50	10		DICARM
O=C([O-])c1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004298452	181094562	/nfs/dbraw/zinc/09/45/62/181094562.db2.gz	MLMWCBTXCKPKTH-GRDNDAEWSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	ZINC000004499130	181115759	/nfs/dbraw/zinc/11/57/59/181115759.db2.gz	HNGWMZYTSLWJBN-PRXAMGSTSA-N	-1	0	309.340	4.350	50	10		DICARM
[O-]c1c(Cl)cc(Cl)cc1CNc1nc2ccccc2[nH]1	ZINC000000547559	563265441	/nfs/dbraw/zinc/26/54/41/563265441.db2.gz	PHXOGHJCYJBTPQ-UHFFFAOYSA-N	-1	0	308.168	4.187	50	10		DICARM
O=c1cc(-c2ccc(O)c(O)c2)oc2ccc3ccccc3c12	ZINC000000038936	563912703	/nfs/dbraw/zinc/91/27/03/563912703.db2.gz	CHJYKPALQWHBFY-UHFFFAOYSA-N	-1	0	304.301	4.024	50	10		DICARM
CCc1cccc(CC)c1N=Nc1c([O-])c2ccccc2oc1=O	ZINC000252608631	563917601	/nfs/dbraw/zinc/91/76/01/563917601.db2.gz	HMAJZLDVUQSKTK-KRWDZBQOSA-N	-1	0	322.364	4.066	50	10		DICARM
O=C([O-])c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000002578389	180936885	/nfs/dbraw/zinc/93/68/85/180936885.db2.gz	MLMWCBTXCKPKTH-ZQIUZPCESA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000013389296	181847934	/nfs/dbraw/zinc/84/79/34/181847934.db2.gz	QZGKQUSGJHPTPW-RKVPGOIHSA-N	-1	0	309.340	4.350	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1Cl	ZINC000101184463	193809214	/nfs/dbraw/zinc/80/92/14/193809214.db2.gz	YYKCUFRKHHBXON-MJWGMMHASA-N	-1	0	312.760	4.215	50	10		DICARM
Cc1ccccc1/N=N/c1ccc(NC(=O)/C=C\C(=O)[O-])cc1C	ZINC000027529369	563428188	/nfs/dbraw/zinc/42/81/88/563428188.db2.gz	OSORAMSDYAVDAI-PZAJOLBZSA-N	-1	0	323.352	4.298	50	10		DICARM
O=C([O-])c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	ZINC000004333647	181099067	/nfs/dbraw/zinc/09/90/67/181099067.db2.gz	DQMLXAJMYIWCKH-GRDNDAEWSA-N	-1	0	309.340	4.350	50	10		DICARM
Cn1[n-]c(C(F)(F)F)c(N=Nc2ccc(Cl)cc2)c1=O	ZINC000100271611	563548982	/nfs/dbraw/zinc/54/89/82/563548982.db2.gz	AFGKTNZAETYYCH-WUKNDPDISA-N	-1	0	304.659	4.213	50	10		DICARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(O)c2)cc1	ZINC000000269762	563583666	/nfs/dbraw/zinc/58/36/66/563583666.db2.gz	RXCUCOIAFYSJFU-UHFFFAOYSA-N	-1	0	321.376	4.176	50	10		DICARM
O=C([O-])CCc1ccc(-c2ccccc2)n1-c1ccc(F)cc1	ZINC000000094918	563528260	/nfs/dbraw/zinc/52/82/60/563528260.db2.gz	KBUBPBPFXHVWTI-UHFFFAOYSA-N	-1	0	309.340	4.301	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000169350143	563890250	/nfs/dbraw/zinc/89/02/50/563890250.db2.gz	JVLADMZUXQWDJT-IIDMSEBBSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	ZINC000001515157	180871736	/nfs/dbraw/zinc/87/17/36/180871736.db2.gz	JVLADMZUXQWDJT-VKJFTORMSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	ZINC000004639465	181131330	/nfs/dbraw/zinc/13/13/30/181131330.db2.gz	HNGWMZYTSLWJBN-PEBVRCNWSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])CCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000005174366	181213117	/nfs/dbraw/zinc/21/31/17/181213117.db2.gz	PHOIXZQJCRTLDC-FMQUCBEESA-N	-1	0	311.341	4.295	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(Cl)c1	ZINC000102268849	563559138	/nfs/dbraw/zinc/55/91/38/563559138.db2.gz	HTFLYSCICSWITG-AMGRQBIBSA-N	-1	0	312.760	4.215	50	10		DICARM
CCc1cccc(CC)c1N=Nc1c([O-])c2ccccc2oc1=O	ZINC000252608633	563917574	/nfs/dbraw/zinc/91/75/74/563917574.db2.gz	HMAJZLDVUQSKTK-QGZVFWFLSA-N	-1	0	322.364	4.066	50	10		DICARM
O=C([O-])c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1	ZINC000013389527	1043829428	/nfs/dbraw/zinc/82/94/28/1043829428.db2.gz	MLMWCBTXCKPKTH-CPUCHLNUSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	ZINC000002883630	563316967	/nfs/dbraw/zinc/31/69/67/563316967.db2.gz	HNGWMZYTSLWJBN-JKDFXYPNSA-N	-1	0	309.340	4.350	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000100663355	563552796	/nfs/dbraw/zinc/55/27/96/563552796.db2.gz	WZNRFWWKLMDDBG-ISLYRVAYSA-N	-1	0	323.312	4.210	50	10		DICARM
Cc1ccc(/C([O-])=C/c2nc3cc(Cl)ccc3oc2=O)cc1	ZINC000102649285	563661127	/nfs/dbraw/zinc/66/11/27/563661127.db2.gz	FRUNFCQOXMYJBB-DHDCSXOGSA-N	-1	0	313.740	4.206	50	10		DICARM
O=C([O-])c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004298458	181094395	/nfs/dbraw/zinc/09/43/95/181094395.db2.gz	QZGKQUSGJHPTPW-MPGHIAIKSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21	ZINC000004745456	181146755	/nfs/dbraw/zinc/14/67/55/181146755.db2.gz	QPPYVZSFUYPJIJ-LJNABYEQSA-N	-1	0	318.587	4.185	50	10		DICARM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccc(C(F)(F)F)cc1	ZINC000032211640	182637875	/nfs/dbraw/zinc/63/78/75/182637875.db2.gz	ZZJYHTWLADXJCT-FPYGCLRLSA-N	-1	0	309.287	4.211	50	10		DICARM
O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccccc1F	ZINC000000099259	563216953	/nfs/dbraw/zinc/21/69/53/563216953.db2.gz	LEIGSTOISQRRGV-UHFFFAOYSA-N	-1	0	315.369	4.362	50	10		DICARM
O=C(c1sc2ccccc2c1[O-])c1ccc(OC(F)F)cc1	ZINC000012859504	563845488	/nfs/dbraw/zinc/84/54/88/563845488.db2.gz	CYCXEYVRSZRMIG-UHFFFAOYSA-N	-1	0	320.316	4.439	50	10		DICARM
CCC1=N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N(O)C1(C)C	ZINC000023115395	1039044031	/nfs/dbraw/zinc/04/40/31/1039044031.db2.gz	ZDHKEHHSRYNCGO-GFCCVEGCSA-N	-1	0	303.189	4.032	50	10		DICARM
CC(C)[C@@H]1Nc2c([O-])cc(Cl)c([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21	ZINC000169295413	1057627310	/nfs/dbraw/zinc/62/73/10/1057627310.db2.gz	BHMAAIAPZUZRTC-ZDMBXUJBSA-N	-1	0	308.765	4.064	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	ZINC000004004279	181061604	/nfs/dbraw/zinc/06/16/04/181061604.db2.gz	SLSSOGBNYLVCRS-HDMKZQKVSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004298455	181094670	/nfs/dbraw/zinc/09/46/70/181094670.db2.gz	QZGKQUSGJHPTPW-HDMKZQKVSA-N	-1	0	309.340	4.350	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1Cl	ZINC000016160844	182035759	/nfs/dbraw/zinc/03/57/59/182035759.db2.gz	JUTILJRCPUCLTP-KAMYIIQDSA-N	-1	0	311.772	4.059	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	ZINC000059267047	184135885	/nfs/dbraw/zinc/13/58/85/184135885.db2.gz	SLSSOGBNYLVCRS-IIDMSEBBSA-N	-1	0	309.340	4.350	50	10		DICARM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1	ZINC000000095938	563531579	/nfs/dbraw/zinc/53/15/79/563531579.db2.gz	UPILSVKHKRZQFJ-UHFFFAOYSA-N	-1	0	321.376	4.170	50	10	aggregator,biogenic	DICARM
CC(C)(C)C(=O)Nc1sc(-c2ccccc2)cc1C(=O)[O-]	ZINC000000235341	563580219	/nfs/dbraw/zinc/58/02/19/563580219.db2.gz	FYSJMBFGDRCTPR-UHFFFAOYSA-N	-1	0	303.383	4.098	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	ZINC000101996605	563658224	/nfs/dbraw/zinc/65/82/24/563658224.db2.gz	VXRZGWAWDUYXCE-VBHSOAQHSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C1NC(=S)S/C1=C/c1c2ccccc2cc2ccccc21	ZINC000002066033	563891720	/nfs/dbraw/zinc/89/17/20/563891720.db2.gz	IRLORLJPDPTFPE-MHWRWJLKSA-N	-1	0	321.426	4.482	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	ZINC000230008831	563940445	/nfs/dbraw/zinc/94/04/45/563940445.db2.gz	JVLADMZUXQWDJT-RKVPGOIHSA-N	-1	0	309.340	4.350	50	10		DICARM
COc1ccccc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000004140407	181077816	/nfs/dbraw/zinc/07/78/16/181077816.db2.gz	MPBOJZCDSRXYFC-IQUTYRLHSA-N	-1	0	321.376	4.220	50	10		DICARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(O)cc2)cc1	ZINC000000094930	563528389	/nfs/dbraw/zinc/52/83/89/563528389.db2.gz	XWJABDBDGACBHH-UHFFFAOYSA-N	-1	0	321.376	4.176	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	ZINC000101281119	563673567	/nfs/dbraw/zinc/67/35/67/563673567.db2.gz	SLSSOGBNYLVCRS-VKJFTORMSA-N	-1	0	309.340	4.350	50	10		DICARM
CC(C)[C@@H]1Nc2c([O-])cc(Cl)c([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21	ZINC000013146617	1045554807	/nfs/dbraw/zinc/55/48/07/1045554807.db2.gz	BHMAAIAPZUZRTC-KKFJDGPESA-N	-1	0	308.765	4.064	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000253529440	1056321840	/nfs/dbraw/zinc/32/18/40/1056321840.db2.gz	KLQVCADYSBUVAV-QGZVFWFLSA-N	-1	0	306.369	4.178	50	10		DICARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2Cc2ccco2)cc1	ZINC000000559538	180821787	/nfs/dbraw/zinc/82/17/87/180821787.db2.gz	PPETXUUELUSVHS-UHFFFAOYSA-N	-1	0	309.365	4.122	50	10		DICARM
COc1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000004172112	181081434	/nfs/dbraw/zinc/08/14/34/181081434.db2.gz	IPNOZTJAHBNSAK-VKJFTORMSA-N	-1	0	321.376	4.220	50	10		DICARM
O=C([O-])[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@H]21	ZINC000004132237	181077251	/nfs/dbraw/zinc/07/72/51/181077251.db2.gz	JHGJAWDFYUSZLM-IIDMSEBBSA-N	-1	0	307.349	4.017	50	10		DICARM
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140521	181078568	/nfs/dbraw/zinc/07/85/68/181078568.db2.gz	SIRAIUISTYRMQP-GJYPPUQNSA-N	-1	0	321.376	4.220	50	10		DICARM
Nc1c(C(=O)[O-])sc2nc(-c3ccccc3)c3c(c12)CCCC3	ZINC000020814343	182247738	/nfs/dbraw/zinc/24/77/38/182247738.db2.gz	IMAZFPSEIOKCMU-UHFFFAOYSA-N	-1	0	324.405	4.123	50	10	aggregator	DICARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000000257966	563234288	/nfs/dbraw/zinc/23/42/88/563234288.db2.gz	JVLADMZUXQWDJT-HDMKZQKVSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])CCc1ccc(-c2ccccc2)n1CCc1ccccc1	ZINC000000559579	563670263	/nfs/dbraw/zinc/67/02/63/563670263.db2.gz	KOXLOYIBXHIAIT-UHFFFAOYSA-N	-1	0	319.404	4.415	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	ZINC000101996601	563673525	/nfs/dbraw/zinc/67/35/25/563673525.db2.gz	VXRZGWAWDUYXCE-FHSNZYRGSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	ZINC000245240981	563952195	/nfs/dbraw/zinc/95/21/95/563952195.db2.gz	VXRZGWAWDUYXCE-SNUQEOBHSA-N	-1	0	309.340	4.350	50	10		DICARM
CCC1=N[C@H](c2cc(Cl)cc(Cl)c2[O-])N(O)C1(C)C	ZINC000023115397	1039045824	/nfs/dbraw/zinc/04/58/24/1039045824.db2.gz	ZDHKEHHSRYNCGO-LBPRGKRZSA-N	-1	0	303.189	4.032	50	10		DICARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000169682889	197747035	/nfs/dbraw/zinc/74/70/35/197747035.db2.gz	VXRZGWAWDUYXCE-VFVRVIDISA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@H]21	ZINC000004132238	181077327	/nfs/dbraw/zinc/07/73/27/181077327.db2.gz	JHGJAWDFYUSZLM-HDMKZQKVSA-N	-1	0	307.349	4.017	50	10		DICARM
O=C([O-])COc1ccc(NN=C2C(=O)C=Cc3ccccc32)cc1	ZINC000004798541	181153451	/nfs/dbraw/zinc/15/34/51/181153451.db2.gz	FGOZTBMRGYFNHB-FMQUCBEESA-N	-1	0	322.320	4.424	50	10		DICARM
O=C([O-])[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@@H]21	ZINC000004827815	181158340	/nfs/dbraw/zinc/15/83/40/181158340.db2.gz	QPPYVZSFUYPJIJ-ZJXQECPTSA-N	-1	0	318.587	4.185	50	10		DICARM
O=C([O-])c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000000094368	563215855	/nfs/dbraw/zinc/21/58/55/563215855.db2.gz	QZGKQUSGJHPTPW-DAYGRLMNSA-N	-1	0	309.340	4.350	50	10		DICARM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1	ZINC000000098580	563217100	/nfs/dbraw/zinc/21/71/00/563217100.db2.gz	HJMWSISJSXIKRZ-UHFFFAOYSA-N	-1	0	323.373	4.366	50	10		DICARM
O=C([O-])c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	ZINC000012436474	563928680	/nfs/dbraw/zinc/92/86/80/563928680.db2.gz	DQMLXAJMYIWCKH-CKEIUWERSA-N	-1	0	309.340	4.350	50	10		DICARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000253529439	1056323424	/nfs/dbraw/zinc/32/34/24/1056323424.db2.gz	KLQVCADYSBUVAV-KRWDZBQOSA-N	-1	0	306.369	4.178	50	10		DICARM
CC(C)[C@@H]1Nc2c([O-])cc(Cl)c([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21	ZINC000034118523	1056690056	/nfs/dbraw/zinc/69/00/56/1056690056.db2.gz	BHMAAIAPZUZRTC-RVBZMBCESA-N	-1	0	308.765	4.064	50	10		DICARM