smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	ZINC000216874420	530492634	/nfs/dbraw/zinc/49/26/34/530492634.db2.gz	CKZOMJTYCRYFBH-UHFFFAOYSA-N	0	0	375.878	0.652	40	70		GCIBRN
O=C(CNC(=O)c1ccccc1)N1CCc2cnc(N3CCOCC3)nc2C1	ZINC000217622827	136203486	/nfs/dbraw/zinc/20/34/86/136203486.db2.gz	NHOIGLMONBJSFS-UHFFFAOYSA-N	0	0	381.436	0.628	40	70		GCIBRN
CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)CC1	ZINC000216863077	570308755	/nfs/dbraw/zinc/30/87/55/570308755.db2.gz	AHHWYMXPXXGPKZ-UHFFFAOYSA-N	0	0	394.541	0.709	40	70		GCIBRN
COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N1CCN(C)CC1)=C2C	ZINC000217031058	570311792	/nfs/dbraw/zinc/31/17/92/570311792.db2.gz	ISDBIFCDFXGJRB-UHFFFAOYSA-N	0	0	395.481	0.988	40	70		GCIBRN
CCNS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1N1CCN(C)CC1	ZINC000216795228	535498499	/nfs/dbraw/zinc/49/84/99/535498499.db2.gz	SCRNYAUUZNOEHV-UHFFFAOYSA-N	0	0	396.513	0.209	40	70		GCIBRN
O=C(Cn1c(=O)oc2ccccc21)N1CCc2cnc(N3CCOCC3)nc2C1	ZINC000217620080	136203325	/nfs/dbraw/zinc/20/33/25/136203325.db2.gz	HOJGTNWHVJTAKT-UHFFFAOYSA-N	0	0	395.419	0.806	40	70		GCIBRN
C[C@@H](C(=O)NCCCN1CCOCC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218455848	570334834	/nfs/dbraw/zinc/33/48/34/570334834.db2.gz	HRDYJVMIHYASFF-AWEZNQCLSA-N	0	0	387.477	0.819	40	70		GCIBRN
COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216785999	570306711	/nfs/dbraw/zinc/30/67/11/570306711.db2.gz	IUWMGNCTDKRGIW-UHFFFAOYSA-N	0	0	383.470	0.104	40	70		GCIBRN
Cc1ccc(N([C@@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1	ZINC000218353835	570332574	/nfs/dbraw/zinc/33/25/74/570332574.db2.gz	ICGXUKIQRRCTSY-INIZCTEOSA-N	0	0	383.514	0.988	40	70		GCIBRN
Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216855433	570308265	/nfs/dbraw/zinc/30/82/65/570308265.db2.gz	HVZAWLRGMBOTEV-MRXNPFEDSA-N	0	0	381.498	0.840	40	70		GCIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC[C@@H]1CCCO1	ZINC000216861825	570308273	/nfs/dbraw/zinc/30/82/73/570308273.db2.gz	COIRCSJSIHMBAS-HNNXBMFYSA-N	0	0	381.498	0.840	40	70		GCIBRN
CCOCCCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216884987	570308914	/nfs/dbraw/zinc/30/89/14/570308914.db2.gz	KNEBLXLLUJNCGB-UHFFFAOYSA-N	0	0	383.514	0.920	40	70		GCIBRN
CCOc1ccc(N([C@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1	ZINC000218293733	570330426	/nfs/dbraw/zinc/33/04/26/570330426.db2.gz	GMLMIJODBXPARL-OAHLLOKOSA-N	0	0	399.513	0.688	40	70		GCIBRN
Cc1ncn(CC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)c(=O)c1C	ZINC000217623729	136203403	/nfs/dbraw/zinc/20/34/03/136203403.db2.gz	LDHXXRQFDDRTJW-UHFFFAOYSA-N	0	0	384.440	0.072	40	70		GCIBRN
C[C@H](C(=O)NCCN1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218473926	530494651	/nfs/dbraw/zinc/49/46/51/530494651.db2.gz	HSXMJZHRRDTRRG-CYBMUJFWSA-N	0	0	389.905	0.943	40	70		GCIBRN
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc2c(c1)OCO2	ZINC000218352108	208836525	/nfs/dbraw/zinc/83/65/25/208836525.db2.gz	HRLLGFRRYMNYGU-UHFFFAOYSA-N	0	0	391.405	0.919	40	70		GCIBRN
CCNS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1N1CCN(C)CC1	ZINC000216795115	535497854	/nfs/dbraw/zinc/49/78/54/535497854.db2.gz	CVZIMVXZVMHIRS-UHFFFAOYSA-N	0	0	380.514	0.973	40	70		GCIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC[C@H]1CCCO1	ZINC000216861843	570308212	/nfs/dbraw/zinc/30/82/12/570308212.db2.gz	COIRCSJSIHMBAS-OAHLLOKOSA-N	0	0	381.498	0.840	40	70		GCIBRN
CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)CC1	ZINC000216856991	570308249	/nfs/dbraw/zinc/30/82/49/570308249.db2.gz	JFCOFXWQTZCNLF-UHFFFAOYSA-N	0	0	394.541	0.709	40	70		GCIBRN
COc1ccc2nnc(CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n2n1	ZINC000217586479	208829128	/nfs/dbraw/zinc/82/91/28/208829128.db2.gz	DEZFIYQSDHPRQS-UONOGXRCSA-N	0	0	394.435	0.873	40	70		GCIBRN
O=C(Cn1nnc2ccccc21)N1CCc2cnc(N3CCOCC3)nc2C1	ZINC000217623610	136203463	/nfs/dbraw/zinc/20/34/63/136203463.db2.gz	DTFAMOPMMZEGNK-UHFFFAOYSA-N	0	0	379.424	0.643	40	70		GCIBRN
C[C@H](C(=O)NCCCN1CCOCC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000218455927	570334779	/nfs/dbraw/zinc/33/47/79/570334779.db2.gz	HRDYJVMIHYASFF-CQSZACIVSA-N	0	0	387.477	0.819	40	70		GCIBRN
C[C@@H](C(=O)NCCN1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218473855	530494684	/nfs/dbraw/zinc/49/46/84/530494684.db2.gz	HSXMJZHRRDTRRG-ZDUSSCGKSA-N	0	0	389.905	0.943	40	70		GCIBRN
CNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1N1CCN(C)CC1	ZINC000216789806	536312221	/nfs/dbraw/zinc/31/22/21/536312221.db2.gz	OJFKSXJQUWVOBD-UHFFFAOYSA-N	0	0	392.481	0.870	40	70		GCIBRN
CN(C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@@H]1CCCC[C@H]1O	ZINC000216868097	570308568	/nfs/dbraw/zinc/30/85/68/570308568.db2.gz	SAOXHFUDCFCXIK-QZTJIDSGSA-N	0	0	395.525	0.998	40	70		GCIBRN
CCOc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(C)(=O)=O	ZINC000218257159	570329140	/nfs/dbraw/zinc/32/91/40/570329140.db2.gz	PXKIHESHDIBZNZ-UHFFFAOYSA-N	0	0	399.513	0.690	40	70		GCIBRN
Cc1ccc(N([C@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1	ZINC000218353924	570332362	/nfs/dbraw/zinc/33/23/62/570332362.db2.gz	ICGXUKIQRRCTSY-MRXNPFEDSA-N	0	0	383.514	0.988	40	70		GCIBRN
Cc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216856883	570308173	/nfs/dbraw/zinc/30/81/73/570308173.db2.gz	SIUSKZFZVCUNCB-UHFFFAOYSA-N	0	0	380.514	0.319	40	70		GCIBRN
CCOc1ccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1	ZINC000218293694	570330479	/nfs/dbraw/zinc/33/04/79/570330479.db2.gz	GMLMIJODBXPARL-HNNXBMFYSA-N	0	0	399.513	0.688	40	70		GCIBRN
CNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1N1CCN(C)CC1	ZINC000216792058	136203187	/nfs/dbraw/zinc/20/31/87/136203187.db2.gz	GXPRWKQNJFIWEH-UHFFFAOYSA-N	0	0	380.514	0.973	40	70		GCIBRN
Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216855411	570308151	/nfs/dbraw/zinc/30/81/51/570308151.db2.gz	HVZAWLRGMBOTEV-INIZCTEOSA-N	0	0	381.498	0.840	40	70		GCIBRN